Consensus flow list

Identity

Type
Chemical salt
CAS
825-90-1
EC
212-550-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium 4-hydroxybenzenesulphonate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BYMHXIQVEAYSJD-UHFFFAOYSA-M, ULUPAWKAWBVCAI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 4-hydroxybenzenesulphonate
Molecular formula chemrof:molecular_formula C6H5NaO4S, C6H6NaO4S
SMILES string chemrof:smiles_string O=S(=O)([O-])c1ccc(O)cc1.[Na+]

Known URLs

3

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=28469-73-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=825-90-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24193063 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
d0dca624-67dd-458c-99d5-3f0cbd3470ad Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b4d0ed32-5468-4df4-98ad-993baa05c28f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e04a9297-a868-4026-ab65-149ecdc86117 Environmental → Air → Indoor EF 3.1 kg 2
b8a989c6-7c73-4de9-8b65-d789a3f1f07e Environmental → Air → Long-term EF 3.1 kg 0
8a9e19c1-65e7-4e84-a746-31d2efdabed9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dc3f6573-3c19-411f-a610-98b74874eadb Environmental → Air → Unknown EF 3.1 kg 2
5ccd7a1b-42ce-4afa-8a45-02bfd52a7e2d Environmental → Ground → Agricultural EF 3.1 kg 2
10d2a808-50e8-4498-8e19-4df375046b4b Environmental → Ground → Non-agricultural EF 3.1 kg 2
fd55e47d-0dd7-4027-8eed-b15b2f820eff Environmental → Ground → Unknown EF 3.1 kg 2
c2416181-4e34-41b7-8a80-99daaa2d3a67 Environmental → Water → Long-term EF 3.1 kg 0
1b688521-9f48-4c40-a0e3-63e02f50060f Environmental → Water → Ocean EF 3.1 kg 2
a35006bf-764e-4a7d-8cca-e499be66b242 Environmental → Water → Surface water EF 3.1 kg 2
102be3df-9fad-4943-8074-fc357c12f0a3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9b33eb7e24e73886",
  "prefLabel": [
    {
      "@value": "Sodium 4-hydroxybenzenesulphonate",
      "@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": "4-Hydroxybenzenesulfonic acid sodium 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=825-90-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-hydroxy-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=825-90-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, p-hydroxy-, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxybenzenesulfonic acid monosodium salt",
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      }
    },
    {
      "@value": "p-Hydroxybenzenesulfonic acid sodium salt",
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      }
    },
    {
      "@value": "p-Phenolsulfonic acid sodium salt",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Sodium p-hydroxybenzenesulfonate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium p-hydroxyphenylsulfonate",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium p-phenolsulfonate",
      "@language": "en",
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      "provenance": {
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  ],
  "properties": {
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        "C6H5NaO4S",
        "C6H6NaO4S"
      ],
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          "enrich_references.pubchem_semantic"
        ],
        "C6H5NaO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BYMHXIQVEAYSJD-UHFFFAOYSA-M",
        "ULUPAWKAWBVCAI-UHFFFAOYSA-N"
      ],
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        "BYMHXIQVEAYSJD-UHFFFAOYSA-M": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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            "O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
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        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])c1ccc(O)cc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=S(=O)([O-])c1ccc(O)cc1.[Na+]": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1"
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  },
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  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "102be3df-9fad-4943-8074-fc357c12f0a3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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}

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