Consensus flow list

Identity

Type
Chemical salt
CAS
28706-25-4
EC
249-171-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tetrasodium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RZZJILMTKATSFX-UHFFFAOYSA-N, VDOGYBKHFWFTCJ-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name Tetrasodium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate
Molecular formula chemrof:molecular_formula C41H24N6Na4O15S4, C41H28N6Na4O15S4
SMILES string chemrof:smiles_string O=C(Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)c(S(=O)(=O)[O-])cc2c1)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)[O-])ccc4c3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[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=28706-25-4 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/137177086 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
6f224ca4-003a-49be-9f35-f375e3852574 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
138aebf4-8cca-4867-a9b9-071bb191ccfa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3a021c3e-bf63-4193-9ad3-9c2823e9da28 Environmental → Air → Indoor EF 3.1 kg 2
65600a33-0c39-4210-bbde-6869f83a6dbd Environmental → Air → Long-term EF 3.1 kg 0
e5105ecf-8ce7-4869-958c-1ecaf60a6bad Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9f594601-8f97-4ccc-adaa-7c3ee80b95cc Environmental → Air → Unknown EF 3.1 kg 2
4c70c754-2246-41ae-a186-1a6eac15e9e9 Environmental → Ground → Agricultural EF 3.1 kg 2
fda190da-e99c-461d-abf8-e2a980e74e95 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c49c9760-5bda-448a-8e10-b507b418b65f Environmental → Ground → Unknown EF 3.1 kg 2
88d07474-9109-4d79-9355-18ecdc00b8d3 Environmental → Water → Long-term EF 3.1 kg 0
9b170548-4dd9-42ff-8408-d1da27d5ce83 Environmental → Water → Ocean EF 3.1 kg 2
a5859003-d6d5-4135-8c0a-f098b2a21a1f Environmental → Water → Surface water EF 3.1 kg 2
affd5416-c52b-417d-9358-ddc4d59c65f5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "Tetrasodium 4-hydroxy-7-[({5-hydroxy-7-sulfonato-6-[(6-sulfonato-2-naphthyl)diazenyl]-2-naphthyl}carbamoyl)amino]-3-[(6-sulfonato-2-naphthyl)diazenyl]naphthalene-2-sulfonate",
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  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulfo-2-naphthalenyl)azo]-, tetrasodium salt",
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      "@value": "2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-, sodium salt (1:4)",
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    {
      "@value": "2-Naphthalenesulfonic acid, 7,7′-ureylenebis[4-hydroxy-3-[(6-sulfo-2-naphthyl)azo]-, tetrasodium salt",
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        "https://echa.europa.eu/search-for-chemicals?query=249-171-5"
      ],
      "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"
  ]
}

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