Consensus flow list

Identity

Type
Chemical salt
CAS
13863-31-5
EC
237-600-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RBKRQKAUVPMNKG-UHFFFAOYSA-N, VVYVUOFMPAXVCH-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Molecular formula chemrof:molecular_formula C38H38N12Na2O8S2, C38H40N12Na2O8S2
SMILES string chemrof:smiles_string CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(C)CCO)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[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=13863-31-5 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131873259 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
a692a399-dfd1-454b-9f7c-cbc9508742be Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ee0ed040-bd32-47cd-acbf-cee40fd93b7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0995ee8a-9307-4fad-b376-a6de56febe39 Environmental → Air → Indoor EF 3.1 kg 4
3da60e65-1524-4388-b5ac-b0486d1c54cf Environmental → Air → Long-term EF 3.1 kg 0
89d2e725-88d3-4e9e-bc97-f7beebfcad35 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9fd53cbe-4254-474a-a0aa-33c122a4637f Environmental → Air → Unknown EF 3.1 kg 4
59dbef21-7ced-451b-bdf9-502928ef50ba Environmental → Ground → Agricultural EF 3.1 kg 4
bb1929fc-1326-4970-acee-62667b8739f2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f9777750-a2c1-40d0-9810-9a2ffde85d70 Environmental → Ground → Unknown EF 3.1 kg 4
c5b4d414-b9ba-4aec-a4b7-fe46eb8c6608 Environmental → Water → Long-term EF 3.1 kg 0
a1b96f71-cb6c-42a6-a64d-36d65e480eb6 Environmental → Water → Ocean EF 3.1 kg 4
c44d0ab0-8beb-4ad8-b6c9-7e70e1424962 Environmental → Water → Surface water EF 3.1 kg 4
1e5a2855-5f65-4b80-a290-35170bfbe90b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d1208f7559c8dfae",
  "prefLabel": [
    {
      "@value": "Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-hydroxyethyl)methylamino]-s-triazin-2-yl]amino]-, disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=13863-31-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium 4,4′-bis([4-anilino-6-(N-methyl-2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino)stilbene-2,2′-disulfonate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disodium 4,4′-bis[4-anilino-6-[N-(2-hydroxyethyl)-N-methylamino]-s-triazin-2-ylamino]-2,2′-stilbenedisonate",
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    },
    {
      "@value": "Disodium 4,4′-bis[[4-anilino-6-(N-methyl-N-2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2′-disulfonate",
      "@language": "en",
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    },
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      "@value": "Optiblanc MTB",
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    },
    {
      "@value": "Phorwite RKH",
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    },
    {
      "@value": "Tinopal 5BM",
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    },
    {
      "@value": "Tinopal 5BM-XC",
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  "properties": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChI",
      "@value": [
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}

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