Consensus flow list

Sodium 6-amino-5-({2-[cyclohexyl(methyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

fo-204d74d88f0e5778

Identity

Type
Chemical salt
CAS
32846-21-2
EC
251-257-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 6-amino-5-({2-[cyclohexyl(methyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BJDYSLLOZKVIAZ-UHFFFAOYSA-M, OKPGMKNTYKQRBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H26N4O6S2.Na/c24-18-11-10-16-12-17(35(31,32)33)13-20(28)22(16)23(18)27-26-19-8-4-5-9-21(19)34(29,30)25-14-15-6-2-1-3-7-15;/h4-5,8-13,15,25,28H,1-3,6-7,14,24H2,(H,31,32,33);/q;+1/p-1
IUPAC name chemrof:IUPAC_name 2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
Molecular formula chemrof:molecular_formula C23H25N4NaO6S2, C23H26N4NaO6S2
SMILES string chemrof:smiles_string Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[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=32846-21-2 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/137244899 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
7efd2efd-ebb7-4695-a18e-c87f6b731bee Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dbacfaa1-68d2-4ce8-be84-8504a39a7a6d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f1b43f1d-a9dc-432b-9512-108fff94f741 Environmental → Air → Indoor EF 3.1 kg 4
f9738255-b800-41bb-baee-82995fdbf2d7 Environmental → Air → Long-term EF 3.1 kg 0
a5375203-ecc0-4314-a319-d87757302620 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9a7b2caa-57fa-4f18-b784-1266f8cf1f21 Environmental → Air → Unknown EF 3.1 kg 4
b248d732-8168-4eed-ac42-2bfd53219d34 Environmental → Ground → Agricultural EF 3.1 kg 4
7ee3ca24-f7f3-44ac-8d90-7476578ed45e Environmental → Ground → Non-agricultural EF 3.1 kg 4
24a72348-907b-4cc4-bd50-554d437d26fa Environmental → Ground → Unknown EF 3.1 kg 4
3116123d-b1af-42b2-9d37-f5491fcc33b9 Environmental → Water → Long-term EF 3.1 kg 0
72b45654-8b63-43fe-b978-28db23497ad9 Environmental → Water → Ocean EF 3.1 kg 4
43c4399a-000e-415d-9eb1-84c628e729fe Environmental → Water → Surface water EF 3.1 kg 4
ec42b748-4699-4e98-bd02-d7f056f27d5a 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-204d74d88f0e5778",
  "prefLabel": [
    {
      "@value": "Sodium 6-amino-5-({2-[cyclohexyl(methyl)sulfamoyl]phenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate",
      "@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": "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32846-21-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenesulfonic acid, 6-amino-5-[[2-[(cyclohexylmethylamino)sulfonyl]phenyl]azo]-4-hydroxy-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32846-21-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenesulfonic acid, 6-amino-5-[[o-(cyclohexylmethylsulfamoyl)phenyl]azo]-4-hydroxy-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:32846-21-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C23H25N4NaO6S2",
        "C23H26N4NaO6S2"
      ],
      "attested_by": {
        "C23H26N4NaO6S2": [
          "enrich_references.pubchem_semantic"
        ],
        "C23H25N4NaO6S2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:137244899"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BJDYSLLOZKVIAZ-UHFFFAOYSA-M",
        "OKPGMKNTYKQRBS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "OKPGMKNTYKQRBS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "BJDYSLLOZKVIAZ-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:137244899"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[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/C23H26N4O6S2.Na/c24-18-11-10-16-12-17(35(31,32)33)13-20(28)22(16)23(18)27-26-19-8-4-5-9-21(19)34(29,30)25-14-15-6-2-1-3-7-15;/h4-5,8-13,15,25,28H,1-3,6-7,14,24H2,(H,31,32,33);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1N=Nc1ccccc1S(=O)(=O)NCC1CCCCC1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C23H26N4O6S2.Na/c24-18-11-10-16-12-17(35(31,32)33)13-20(28)22(16)23(18)27-26-19-8-4-5-9-21(19)34(29,30)25-14-15-6-2-1-3-7-15;/h4-5,8-13,15,25,28H,1-3,6-7,14,24H2,(H,31,32,33);/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": [
        "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)"
        ]
      },
      "attested_by": {
        "2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(cyclohexylmethylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:137244899;CAS:32846-21-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[32846-21-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/137244899",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:137244899;CAS:32846-21-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[32846-21-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "24a72348-907b-4cc4-bd50-554d437d26fa",
    "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": [
        "32846-21-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=32846-21-2"
        }
      ],
      "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": [
        "251-257-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=251-257-2"
      ],
      "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.