Consensus flow list

Identity

Type
Chemical salt
CAS
16324-27-9
EC
240-400-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CYQIDYMFWABSGI-UHFFFAOYSA-N, HECFMGCMMKUMIN-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Molecular formula chemrof:molecular_formula C36H32N12Na4O14S4, C36H36N12Na4O14S4
SMILES string chemrof:smiles_string O=S(=O)([O-])c1cccc(Nc2nc(NCCO)nc(Nc3ccc(C=Cc4ccc(Nc5nc(NCCO)nc(Nc6cccc(S(=O)(=O)[O-])c6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)n2)c1.[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=16324-27-9 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131849298 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
34f0dea3-fe0c-4d2e-9fac-a76f219d5cda Environmental → Air → Aircraft cruise height EF 3.1 kg 4
897a0e9b-d884-401c-8ca0-3ed7fec0eaca Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
85844e62-6f03-48d8-9f98-d262403786d7 Environmental → Air → Indoor EF 3.1 kg 4
5ca87f09-cf2a-4b3f-b19c-0879ede0216a Environmental → Air → Long-term EF 3.1 kg 0
ce770e49-d6cc-4f43-8b1a-0c40bc4a7214 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ad37f1ea-9597-4e7d-b26c-de2b8ba70d20 Environmental → Air → Unknown EF 3.1 kg 4
dfb357e2-440d-431e-84db-641336c95678 Environmental → Ground → Agricultural EF 3.1 kg 4
9fdfdced-410c-45c1-8593-3c7675978a4a Environmental → Ground → Non-agricultural EF 3.1 kg 4
a1a7fd37-ee73-480a-9377-bd6b8c13fa02 Environmental → Ground → Unknown EF 3.1 kg 4
7df22e65-1307-4c4d-b081-9063ccb46ba0 Environmental → Water → Long-term EF 3.1 kg 0
cc584eaf-7124-461c-afde-33a1a2313e1b Environmental → Water → Ocean EF 3.1 kg 4
4f59b68f-66f7-4f52-bea2-9c7b21f54943 Environmental → Water → Surface water EF 3.1 kg 4
953d9625-98d0-447b-ab97-156bbe90c1fa 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
{
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  "altLabel": [
    {
      "@value": "2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-[(2-hydroxyethyl)amino]-6-(m-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt",
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    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)",
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      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt",
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      "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": [
        "240-400-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=240-400-4"
      ],
      "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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