Sodium 3-aminobenzenesulphonate

1-Aminobenzene-3-sulfonic acid sodium salt
3-Aminobenzenesulfonic acid monosodium salt
3-Aminobenzenesulfonic acid sodium salt
Benzenesulfonic acid, 3-amino-, monosodium salt
Benzenesulfonic acid, 3-amino-, sodium salt (1:1)
Metanilic acid sodium salt
Metanilic acid, monosodium salt
Sodium 1-amino-3-benzenesulfonate
Sodium 3-aminobenzenesulfonate
Sodium m-aminobenzenesulfonate
Sodium metanilate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FWKVAEVXCJQSGA-UHFFFAOYSA-N, GLXWXYTYBIBBLD-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1
IUPAC name chemrof:IUPAC_name	Sodium 3-aminobenzenesulphonate
Molecular formula chemrof:molecular_formula	C6H6NNaO3S, C6H7NNaO3S
SMILES string chemrof:smiles_string	Nc1cccc(S(=O)(=O)[O-])c1.[Na+]

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=1126-34-7	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/87986113	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
500378ca-038c-41ed-b12a-0a24ceb425b4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b280dd38-7ce8-42f6-b9d2-9247edf61436	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
62a89416-ed54-4157-b463-5e4b0a314d51	Environmental → Air → Indoor	EF 3.1	kg	2
dbd25bc9-8dab-4cd3-b132-c0e97744c425	Environmental → Air → Long-term	EF 3.1	kg	0
d2661720-841c-44fa-b211-8e961bd6260c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
cf5fda87-1621-4da9-9afa-1074d5153de1	Environmental → Air → Unknown	EF 3.1	kg	2
3d0d29f5-7451-4a5c-828e-891dd249fd19	Environmental → Ground → Agricultural	EF 3.1	kg	2
065ffec6-fb79-479f-8821-8605a90e3778	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
83e66e66-b710-4425-9b36-1a2e12b0a8e4	Environmental → Ground → Unknown	EF 3.1	kg	2
fee3ffa1-0680-41d0-a129-64d5a99d38cb	Environmental → Water → Long-term	EF 3.1	kg	0
b8ea2c6d-f2fa-4d55-bd6f-6ab79e6bc384	Environmental → Water → Ocean	EF 3.1	kg	2
ac858c8c-87f3-420a-9e26-49861c214dab	Environmental → Water → Surface water	EF 3.1	kg	2
aa2b904d-309a-49b5-822c-29cbd58d95e9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-674c0c3057945442",
  "prefLabel": [
    {
      "@value": "Sodium 3-aminobenzenesulphonate",
      "@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-Aminobenzene-3-sulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Aminobenzenesulfonic acid monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Aminobenzenesulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 3-amino-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 3-amino-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metanilic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Metanilic acid, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 1-amino-3-benzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 3-aminobenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium m-aminobenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium metanilate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1126-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H6NNaO3S",
        "C6H7NNaO3S"
      ],
      "attested_by": {
        "C6H7NNaO3S": [
          "enrich_references.pubchem_semantic"
        ],
        "C6H6NNaO3S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87986113"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FWKVAEVXCJQSGA-UHFFFAOYSA-N",
        "GLXWXYTYBIBBLD-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "FWKVAEVXCJQSGA-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "GLXWXYTYBIBBLD-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87986113"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1cccc(S(=O)(=O)[O-])c1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-aminobenzenesulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Nc1cccc(S(=O)(=O)[O-])c1.[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/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-aminobenzenesulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Nc1cccc(S(=O)(=O)[O-])c1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H7NO3S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/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-aminobenzenesulphonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 3-aminobenzenesulphonate"
        ]
      },
      "attested_by": {
        "Sodium 3-aminobenzenesulphonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87986113;CAS:1126-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1126-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87986113",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87986113;CAS:1126-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1126-34-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "065ffec6-fb79-479f-8821-8605a90e3778",
    "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": [
        "1126-34-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1126-34-7"
        }
      ],
      "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": [
        "214-419-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=214-419-3"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Sodium 3-aminobenzenesulphonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard