Brightway Flows 1.0
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Tributyltin Hydroxide

fo-20a81fafbcac5d83

Identity

Type
Neutral molecule
CAS
1067-97-6
EC
213-939-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tributyltin Hydroxide

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GMVHICBNQJYKSP-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/3C4H9.H2O.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1
IUPAC name chemrof:IUPAC_name Tributyltin Hydroxide
Molecular formula chemrof:molecular_formula C12H28OSn
Molecular mass chemrof:molecular_mass 307.066
Monoisotopic mass chemrof:monoisotopic_mass 308.11621
SMILES string chemrof:smiles_string CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC

Known URLs

3

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=1067-97-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9948497 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82002785 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0c3be26f-9f96-47e7-8036-d8135acb109e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
869da2d7-22ef-40a2-81ab-5c10837d6d5e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5a59d281-c731-4ba1-92ab-1c84b3eb03ff Environmental → Air → Indoor EF 3.1 kg 2
663d5ed4-44a8-42d2-9556-8fbb0e254164 Environmental → Air → Long-term EF 3.1 kg 0
eb959234-0463-41d2-8799-17816c31bd8f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
336cd79e-f713-428e-9a8b-63e6c6842bbe Environmental → Air → Unknown EF 3.1 kg 2
3ea86409-34c9-46d1-b842-2b65c7a3c5ce Environmental → Ground → Agricultural EF 3.1 kg 2
16bb5d5e-7d9c-4a39-a483-10c3e2f3937b Environmental → Ground → Non-agricultural EF 3.1 kg 2
c2a63783-a129-4f39-a49e-795ee203c9a4 Environmental → Ground → Unknown EF 3.1 kg 2
c8d56ccc-35cd-4229-883f-b16601883ade Environmental → Water → Long-term EF 3.1 kg 0
7950f5d7-82bc-4b55-8c09-0f692010baa7 Environmental → Water → Ocean EF 3.1 kg 2
d6710fe4-2521-40ac-a2f2-ecc5f4bdc7e1 Environmental → Water → Surface water EF 3.1 kg 2
b74fede3-28b3-47d9-ba0b-747662c38302 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-20a81fafbcac5d83",
  "prefLabel": [
    {
      "@value": "Tributyltin Hydroxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Stannane, tributylhydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin, tributylhydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:1067-97-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tributylhydroxystannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tributylstannanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H28OSn"
      ],
      "attested_by": {
        "C12H28OSn": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "brightway-flows",
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GMVHICBNQJYKSP-UHFFFAOYSA-M"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Tributyltin Hydroxide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/3C4H9.H2O.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/3C4H9.H2O.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tributyltin Hydroxide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Tributyltin Hydroxide"
        ]
      },
      "attested_by": {
        "Tributyltin Hydroxide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        307.066
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCC[Sn+](CCCC)CCCC.[OH-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ],
      "attested_by": {
        "307.066": [
          "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": [
        308.11621
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCC[Sn+](CCCC)CCCC.[OH-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCC[CH2][Sn]([OH])([CH2]CCC)[CH2]CCC"
          ]
        }
      ],
      "attested_by": {
        "308.11621": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1067-97-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82002785",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
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          "CID:9948497;CAS:1067-97-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1067-97-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0c3be26f-9f96-47e7-8036-d8135acb109e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1067-97-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1067-97-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
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      ],
      "rdfs:seeAlso": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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