Consensus flow list

Identity

Type
ChemicalSalt
CAS
73037-34-0
EC
277-242-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Disodium Oxybis(methylbenzenesulfonate)

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KIJXFUZOQIQMKG-UHFFFAOYSA-L, UGVJAWDVDTXCQA-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14O7S2.2Na/c1-9-5-3-7-11(22(15,16)17)13(9)21-14-10(2)6-4-8-12(14)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium Oxybis(methylbenzenesulfonate)
Molecular formula chemrof:molecular_formula C14H12Na2O7S2
SMILES string chemrof:smiles_string Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]

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=73037-34-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.070.199 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00890327 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/175398 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53471251 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82870175 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cfaa1f60-0444-4c7c-86bf-815e14b76eb3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2fc38ac5-77b3-49fb-94e4-de9815e1cd10 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a09c3ed8-0935-4b02-b6c5-923e6cb32caa Environmental → Air → Indoor EF 3.1 kg 4
d2b970d0-2965-435c-adb9-ede87b377bdf Environmental → Air → Long-term EF 3.1 kg 0
1d4a111d-97f3-4551-b1dc-c22306331742 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e22a0b6b-157e-4838-a247-b81ae7353871 Environmental → Air → Unknown EF 3.1 kg 4
01750fdf-eee4-4d14-9b9e-51d9feabae7d Environmental → Ground → Agricultural EF 3.1 kg 4
8996d339-b984-4730-8142-95b048e9aa6e Environmental → Ground → Non-agricultural EF 3.1 kg 4
85918617-de10-42cb-b6af-7562a854ca24 Environmental → Ground → Unknown EF 3.1 kg 4
c4f94714-1ba9-4331-a375-519ff433fe7e Environmental → Water → Long-term EF 3.1 kg 0
c789e8d2-fcad-4944-8a65-b3dffb6bbf43 Environmental → Water → Ocean EF 3.1 kg 4
532f4af3-1e4e-41b0-91cf-d68e0746d07f Environmental → Water → Surface water EF 3.1 kg 4
9291b0a8-01b6-442a-8687-f4e1278a589d 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-5df9cce510117bdc",
  "prefLabel": [
    {
      "@value": "Disodium Oxybis(methylbenzenesulfonate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, oxybis[methyl-, disodium salt",
      "@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=73037-34-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, oxybis[methyl-, sodium salt (1:2)",
      "@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=73037-34-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H12Na2O7S2"
      ],
      "attested_by": {
        "C14H12Na2O7S2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KIJXFUZOQIQMKG-UHFFFAOYSA-L",
        "UGVJAWDVDTXCQA-UHFFFAOYSA-L"
      ],
      "attested_by": {
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        "UGVJAWDVDTXCQA-UHFFFAOYSA-L": [
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        ]
      },
      "rdfs:label": "InChIKey",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "Disodium Oxybis(methylbenzenesulfonate)"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H14O7S2.2Na/c1-9-5-3-7-11(22(15,16)17)13(9)21-14-10(2)6-4-8-12(14)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Disodium Oxybis(methylbenzenesulfonate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(S(=O)(=O)[O-])c1Oc1c(C)cccc1S(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H14O7S2.2Na/c1-9-5-3-7-11(22(15,16)17)13(9)21-14-10(2)6-4-8-12(14)23(18,19)20;;/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Disodium Oxybis(methylbenzenesulfonate)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Disodium Oxybis(methylbenzenesulfonate)"
        ]
      },
      "attested_by": {
        "Disodium Oxybis(methylbenzenesulfonate)": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.070.199",
      "provenance": {
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "01750fdf-eee4-4d14-9b9e-51d9feabae7d",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
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  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=73037-34-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
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      "provenance": {
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      ],
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        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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