Consensus flow list

2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic Acid]

fo-bd6d8a8185590ef2

Identity

Type
NeutralMolecule
CAS
4404-43-7
EC
224-548-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic Acid]

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CNGYZEMWVAWWOB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)
IUPAC name chemrof:IUPAC_name 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic Acid]
Molecular formula chemrof:molecular_formula C40H44N12O10S2
Molecular mass chemrof:molecular_mass 917.0
Monoisotopic mass chemrof:monoisotopic_mass 916.274478, 916.27448
SMILES string chemrof:smiles_string O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)O

Known URLs

10

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
beilstein beilstein:604239 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4404-43-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50010 enrich_references.chebi_id_link
PubMed https://pubmed.ncbi.nlm.nih.gov/11015407 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15038150 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17252623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2580370 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3061981 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7181601 enrich_references.chebi_xrefs
reaxys reaxys:8385272 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
69baec36-c75c-4d18-93fe-9a25bf5b1512 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
32d6387c-1653-46f7-bfe0-7d82e81a974c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c477f7d4-ca0a-4870-a48a-d0e7a1bddced Environmental → Air → Indoor EF 3.1 kg 4
31c71093-df5c-426b-bb82-f2ab21303a54 Environmental → Air → Long-term EF 3.1 kg 0
01b2b720-7caa-40a4-b899-e19100e50453 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
41360a62-ea99-4176-96b4-feb7def7ff50 Environmental → Air → Unknown EF 3.1 kg 4
fa58e703-acd9-4c89-9a1d-32e41cec5a7c Environmental → Ground → Agricultural EF 3.1 kg 4
52110475-ad40-44ea-b1d3-6a01b93c526c Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d7dab52-90a7-4215-b371-9545a2f8faaf Environmental → Ground → Unknown EF 3.1 kg 4
0a79e505-8b61-40bc-b402-5a952b7c73fe Environmental → Water → Long-term EF 3.1 kg 0
43d645f9-5462-47f7-90b0-6eb0f1cce39b Environmental → Water → Ocean EF 3.1 kg 4
b31284ef-da69-4d48-b6e4-64b828131bd3 Environmental → Water → Surface water EF 3.1 kg 4
93d3e9c7-39bd-408b-9df1-d8f1b7707afa 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-bd6d8a8185590ef2",
  "prefLabel": [
    {
      "@value": "2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic Acid]",
      "@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": "2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "CAS:4404-43-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4404-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid",
      "@language": "en",
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      }
    },
    {
      "@value": "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4,4′-Bis[(4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Bis[2-anilino-4-[bis(hydroxyethyl)amino]-s-triazin-6-ylamino]-2,2′-stilbenedisulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Bis[[4-anilino-6-bis[(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-2,2′-stilbenedisulfonic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Fluorescent brightening agent 28",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcofluor M2R",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phorwite BBH",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@value": [
        "C40H44N12O10S2"
      ],
      "attested_by": {
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        ]
      },
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        },
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          ]
        }
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      }
    },
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "CNGYZEMWVAWWOB-UHFFFAOYSA-N"
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      },
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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      },
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    },
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          "prov:hadPrimarySource": [
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        },
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
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