Consensus flow list

Dibutyltin Maleate

fo-3e884aa6043eea43

Identity

Type
Chemical salt
CAS
78-04-6
EC
201-077-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Dibutyltin Maleate

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

35

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZBBLRPRYYSJUCZ-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
IUPAC name chemrof:IUPAC_name 2,2-dibutyl-1,3,2-dioxastannepin-4,7-dione, 2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione, 2,2-dibutyl-1,3-dioxa-2-stannacyclohept-5-ene-4,7-quinone, 2-butenedioate;dibutyltin(2+), but-2-enedioate;dibutyltin(2+)
Molecular formula chemrof:molecular_formula C12H20O4Sn
Molecular mass chemrof:molecular_mass 346.999
Monoisotopic mass chemrof:monoisotopic_mass 348.038354
SMILES string chemrof:smiles_string CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-], CCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCC, CCC[CH2].CCC[CH2].C(=CC(=O)[O-])C(=O)[O-].[Sn+2]

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=78-04-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.202.330 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6029599 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16684310 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170841476 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57370156 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
c6abaf25-3be9-4689-a1bf-6cd135885ca5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5a9e4df4-daf9-4aa9-8a27-6119b4ed0acf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
eecae908-4fa1-448f-a836-f50186b84fc2 Environmental → Air → Indoor EF 3.1 kg 4
2bacb33c-9ccb-43e4-aa0e-2029270e161a Environmental → Air → Long-term EF 3.1 kg 0
fc834116-8cea-4942-83dc-e992c709752a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
143de3b6-3f81-44a4-b5ce-420004d0f0e1 Environmental → Air → Unknown EF 3.1 kg 4
ca7ddcf3-5404-4c92-9cbb-6ff7ba0814ed Environmental → Ground → Agricultural EF 3.1 kg 4
85f5c718-dc81-4a7f-aefd-5e5df1d08c25 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3f4f4c81-f8c4-4f6a-9ba0-81981d31f279 Environmental → Ground → Unknown EF 3.1 kg 4
3248e9b2-2fbb-48f8-8811-a361813c137c Environmental → Water → Long-term EF 3.1 kg 0
eabec69e-417d-48f2-908b-ae693217f9bc Environmental → Water → Ocean EF 3.1 kg 4
e52df8e2-2249-4a57-a4bd-8d073318e803 Environmental → Water → Surface water EF 3.1 kg 4
b5fe1b11-e4cc-4e0e-bf1e-41359e03f47e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3e884aa6043eea43",
  "prefLabel": [
    {
      "@value": "Dibutyltin Maleate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ADK Stab BT 31",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ADK Stab BT 53",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Advastab DBTM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Advastab T 290",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Advastab T 340",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BM(N)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di-n-butyltin maleate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutyl(maleoyldioxy)tin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dibutylstannylene maleate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgastab T 150",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgastab T 290",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgastab T 4",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mark BT 31",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mark BT 58",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Markure UL 2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neostann U 870",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nuodex V 1525",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stanclere T 157",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stanclere TM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann BM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann BM(N)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann MMS 22A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann RC 40F",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann RC 5R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann RC 71A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stann RC 90C",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stavinor 1300SN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Therm-Chek 837",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tinstab BM 360",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TVS 86SP5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TVS-MA 300",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TVS-N 2000E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TVS-NK 220B",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:78-04-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H20O4Sn"
      ],
      "attested_by": {
        "C12H20O4Sn": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16684310",
            "CID:57370156",
            "CID:170841476"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZBBLRPRYYSJUCZ-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "ZBBLRPRYYSJUCZ-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16684310",
            "CID:57370156",
            "CID:170841476"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]",
        "CCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCC",
        "CCC[CH2].CCC[CH2].C(=CC(=O)[O-])C(=O)[O-].[Sn+2]"
      ],
      "attested_by": {
        "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "CCCC[Sn]1(OC(=O)C=CC(=O)O1)CCCC": [
          "enrich_references.pubchem_semantic"
        ],
        "CCC[CH2].CCC[CH2].C(=CC(=O)[O-])C(=O)[O-].[Sn+2]": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16684310",
            "CID:57370156",
            "CID:170841476"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2"
      ],
      "attested_by": {
        "InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:16684310",
            "CID:57370156",
            "CID:170841476"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2-dibutyl-1,3,2-dioxastannepin-4,7-dione",
        "2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione",
        "2,2-dibutyl-1,3-dioxa-2-stannacyclohept-5-ene-4,7-quinone",
        "2-butenedioate;dibutyltin(2+)",
        "but-2-enedioate;dibutyltin(2+)"
      ],
      "attested_by": {
        "2,2-dibutyl-1,3,2-dioxastannepin-4,7-dione": [
          "enrich_references.pubchem_semantic"
        ],
        "2,2-dibutyl-1,3,2-dioxastannepine-4,7-dione": [
          "enrich_references.pubchem_semantic"
        ],
        "2,2-dibutyl-1,3-dioxa-2-stannacyclohept-5-ene-4,7-quinone": [
          "enrich_references.pubchem_semantic"
        ],
        "2-butenedioate;dibutyltin(2+)": [
          "enrich_references.pubchem_semantic"
        ],
        "but-2-enedioate;dibutyltin(2+)": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16684310",
          "CID:57370156",
          "CID:170841476"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        346.999
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "346.999": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        348.038354
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCC[Sn+2]CCCC.C(=CC(=O)[O-])C(=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "348.038354": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.202.330",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16684310;CAS:78-04-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[78-04-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=78-04-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "78-04-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6029599",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16684310;CAS:78-04-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[78-04-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16684310",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:16684310;CAS:78-04-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[78-04-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/170841476",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:170841476;CAS:78-04-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[78-04-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/57370156",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:57370156;CAS:78-04-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[78-04-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "143de3b6-3f81-44a4-b5ce-420004d0f0e1",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "78-04-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=78-04-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "201-077-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-077-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.