Consensus flow list

Identity

Type
Chemical salt
CAS
92484-48-5
EC
403-080-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VZFGKVDHZLPCPB-UHFFFAOYSA-N, XTXADMXOEMEPAC-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C16H17N3O4S.Na/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19;/h4-10,20H,3H2,1-2H3,(H,21,22,23);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate
Molecular formula chemrof:molecular_formula C16H16N3NaO4S, C16H17N3NaO4S
SMILES string chemrof:smiles_string CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]

Known URLs

2

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=92484-48-5 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87330643 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
6e71c62b-e03e-474f-847f-b7e912ac7d24 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fa533e10-5b6a-4f77-9c39-554668a62be2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
28b61bf5-f6b5-4603-bcb9-84de7c43556c Environmental → Air → Indoor EF 3.1 kg 4
2d631bbe-6e9a-4481-be0e-9bbcf64b23bd Environmental → Air → Long-term EF 3.1 kg 0
410b8ad9-6375-4476-90e4-cbb1e1057535 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b548fda9-0283-44fa-9f29-3d9ef9c42303 Environmental → Air → Unknown EF 3.1 kg 4
53702750-3fde-4d9c-9b32-d9c37e0319c9 Environmental → Ground → Agricultural EF 3.1 kg 4
d9a17be5-7331-4107-8dc9-f14a4d0620d4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b82dc8e9-c4a2-4e2a-939b-771e5c9683ff Environmental → Ground → Unknown EF 3.1 kg 4
6e074618-a9c3-4921-a0fd-78951991b640 Environmental → Water → Long-term EF 3.1 kg 0
4cf88ba2-0d55-4942-b1b9-bb8b9c418099 Environmental → Water → Ocean EF 3.1 kg 4
fe521f5b-95a9-4f7b-b9f1-fd6790718a3e Environmental → Water → Surface water EF 3.1 kg 4
a1373b39-51df-403d-a6b5-f2078722f0a3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3dc4240146fd4437",
  "prefLabel": [
    {
      "@value": "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate",
      "@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": "Benzenesulfonic acid, 3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(1-methylpropyl)-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(1-methylpropyl)-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cibafast H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cibafast H Liquid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cibafast W",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium benzotriazolyl butylphenol sulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TinoGard APA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TinoGard HS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TinoGard UV 1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:92484-48-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H16N3NaO4S",
        "C16H17N3NaO4S"
      ],
      "attested_by": {
        "C16H17N3NaO4S": [
          "enrich_references.pubchem_semantic"
        ],
        "C16H16N3NaO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87330643"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VZFGKVDHZLPCPB-UHFFFAOYSA-N",
        "XTXADMXOEMEPAC-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "VZFGKVDHZLPCPB-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "XTXADMXOEMEPAC-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87330643"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C16H17N3O4S.Na/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19;/h4-10,20H,3H2,1-2H3,(H,21,22,23);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C)c1cc(S(=O)(=O)[O-])cc(-n2nc3ccccc3n2)c1O.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C16H17N3O4S.Na/c1-3-10(2)12-8-11(24(21,22)23)9-15(16(12)20)19-17-13-6-4-5-7-14(13)18-19;/h4-10,20H,3H2,1-2H3,(H,21,22,23);/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": [
        "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate"
        ]
      },
      "attested_by": {
        "Sodium 3-(2h-benzotriazol-2-yl)-5-sec-butyl-4-hydroxybenzenesulfonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87330643;CAS:92484-48-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[92484-48-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87330643",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87330643;CAS:92484-48-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[92484-48-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "28b61bf5-f6b5-4603-bcb9-84de7c43556c",
    "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": [
        "92484-48-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=92484-48-5"
        }
      ],
      "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": [
        "403-080-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=403-080-9"
      ],
      "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.