Consensus flow list

Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

0d963936-2f58-4ef5-afa6-d36f2dbdd190

Identity

Substance
fo-2cc36e88014480a8 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Agricultural
CAS
68109-88-6
EC
268-500-3

Context

Dimension
Environmental
Geography
Agricultural
Media
Ground

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 0d963936-2f58-4ef5-afa6-d36f2dbdd190 ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 0d963936-2f58-4ef5-afa6-d36f2dbdd190 ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate Emissions/Emissions to soil/Emissions to agricultural soil exactMatch —

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "2-Butenedioic acid, 1,1′-(dioctylstannylene) 4,4′-diethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68109-88-6",
          "https://commonchemistry.cas.org/detail?cas_rn=68109-88-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:68109-88-6",
          "https://commonchemistry.cas.org/detail?cas_rn=68109-88-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C28H48O8Sn"
      ],
      "attested_by": {
        "C28H48O8Sn": [
          "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:53438566"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([O]C(=O)C=CC(=O)OCC)[O]C(=O)C=CC(=O)OCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DRZLVZYYZKVLCK-UHFFFAOYSA-L"
      ],
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        ]
      },
      "rdfs:label": "InChIKey",
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        {
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
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      "@value": [
        "CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([O]C(=O)C=CC(=O)OCC)[O]C(=O)C=CC(=O)OCC"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([O]C(=O)C=CC(=O)OCC)[O]C(=O)C=CC(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([O]C(=O)C=CC(=O)OCC)[O]C(=O)C=CC(=O)OCC": [
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    },
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2"
      ],
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCC[CH2][Sn]([CH2]CCCCCCC)([O]C(=O)C=CC(=O)OCC)[O]C(=O)C=CC(=O)OCC"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    },
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      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        631.395
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)OC(=O)C=CC(=O)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "631.395": [
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        ]
      },
      "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": [
        632.237113
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)OC(=O)C=CC(=O)OCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "632.237113": [
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          "rdkit_pre_consensus"
        ]
      },
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    }
  },
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    {
      "@value": "Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",
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  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "0d963936-2f58-4ef5-afa6-d36f2dbdd190",
  "identifier": "0d963936-2f58-4ef5-afa6-d36f2dbdd190",
  "source": "EF 3.1",
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  ],
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    "268-500-3"
  ],
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    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [
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    },
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 24970.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-2cc36e88014480a8",
  "concept_associations": [
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        "qudt:hasUnit": {
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  "_sources": {
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    "synonyms": "bootstrap_labels",
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    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
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    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
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    "types": "link_flows_to_their_substance"
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  "_transformed": true,
  "_provided": {
    "name": "ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate",
    "synonyms": [
      "organometallic",
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    "context": [
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    "cas_numbers": [
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    ],
    "ec_numbers": [
      "268-500-3"
    ],
    "unit": "kg"
  }
}

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