Consensus flow list

Identity

Type
Neutral molecule
CAS
1031-07-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Endosulfan Sulfate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AAPVQEMYVNZIOO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
IUPAC name chemrof:IUPAC_name 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,3-dioxide
Molecular formula chemrof:molecular_formula C9H6Cl6O4S
Molecular mass chemrof:molecular_mass 422.928
Monoisotopic mass chemrof:monoisotopic_mass 419.811796
SMILES string chemrof:smiles_string O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

Known URLs

8

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=1031-07-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.152.415 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3037541 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2272380 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251794 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13940 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2761 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q126615486 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
42760d04-42a7-448d-b783-161d28b15bb3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
799f0b2a-2bf6-4216-8c2e-490aa51bebf0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
665dc6b2-8990-4b6b-88b0-102a538ca770 Environmental → Air → Indoor EF 3.1 kg 2
739de8d5-8ff0-4c9b-829e-c4d4f246d36b Environmental → Air → Long-term EF 3.1 kg 0
061db565-0682-480c-b160-2377ad870cac Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e86f46a3-277c-4b8c-8920-f66e654a5723 Environmental → Air → Unknown EF 3.1 kg 2
73cc95f3-e912-4177-8c34-48467e527464 Environmental → Ground → Agricultural EF 3.1 kg 2
ec8e1c7d-7d69-4ffe-a14f-a9c2c816927f Environmental → Ground → Non-agricultural EF 3.1 kg 2
2ad80d1d-0a9b-420d-b0d5-eaa5c3112852 Environmental → Ground → Unknown EF 3.1 kg 2
4b13c350-5e08-4d42-81b1-6aae06aa330a Environmental → Water → Long-term EF 3.1 kg 0
56bdd366-20db-42ab-8c4f-9a98c090f4a1 Environmental → Water → Ocean EF 3.1 kg 2
abaaf4bd-c31c-4201-957d-ca7d14812eea Environmental → Water → Surface water EF 3.1 kg 2
d8855c04-2415-46ff-be59-738c55a79dea Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7016ebd60c6186c7",
  "prefLabel": [
    {
      "@value": "Endosulfan Sulfate",
      "@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": "1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1031-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,3-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1031-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3,6-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoepin sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Endosulfan cyclic sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1031-07-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Endosulfan III",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Endosulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1031-07-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiodan sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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      ],
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      },
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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      },
      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
            "O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl"
      ],
      "provenance": [
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        },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "attested_by": {
        "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2": [
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    },
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        ]
      },
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  },
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  "classifications": {
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}

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