Consensus flow list

Identity

Type
Chemical salt
CAS
28950-61-0
EC
249-323-0
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-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JYKHLXXXYJCLAI-UHFFFAOYSA-N, UOLRZRKZXIOJRT-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Molecular formula chemrof:molecular_formula C40H36N12Na4O14S4, C40H40N12Na4O14S4
SMILES string chemrof:smiles_string O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N3CCOCC3)n2)cc1.[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=28950-61-0 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131852125 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
e87e0b08-4565-46a4-ac20-108d52422280 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
640e0ed7-20e5-43e1-ac6a-f2d4f761a821 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
628ea0c7-98ea-45ca-807c-b3117ad67946 Environmental → Air → Indoor EF 3.1 kg 2
ec52103b-67f9-4400-afc8-bed96006abd4 Environmental → Air → Long-term EF 3.1 kg 0
e0e7e3fd-ea32-4925-93ba-9f8bc52493de Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b3d9be26-4647-4d93-9356-a93e57bdca9b Environmental → Air → Unknown EF 3.1 kg 2
0cf30b6a-e04c-44c9-9ad7-9f401db5d2bd Environmental → Ground → Agricultural EF 3.1 kg 2
24aa55a3-9134-47c3-8de3-6c646c519ee0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5abc8db5-b60a-4bac-8b81-5cba583dd21c Environmental → Ground → Unknown EF 3.1 kg 2
46084e73-260c-4a03-b14b-5b8d9246e855 Environmental → Water → Long-term EF 3.1 kg 0
0e53bb10-378f-42e1-9e90-09704768e656 Environmental → Water → Ocean EF 3.1 kg 2
eac84b65-959a-4c90-8b90-c6b7eebc4619 Environmental → Water → Surface water EF 3.1 kg 2
0c9ed81d-f0d0-48ca-95b6-4a0eda7f312d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-35fd84f95f648300",
  "prefLabel": [
    {
      "@value": "Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-morpholino-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28950-61-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "C.I. Fluorescent Brightener 210",
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      }
    },
    {
      "@value": "C.I. Fluorescent Brightener 211",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Photine BTM",
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  "properties": {
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        "C40H36N12Na4O14S4",
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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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        "O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N3CCOCC3)n2)cc1.[Na+].[Na+].[Na+].[Na+]"
      ],
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        },
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          ]
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        "O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N3CCOCC3)n2)cc1.[Na+].[Na+].[Na+].[Na+]": [
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4"
      ],
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          ]
        }
      ],
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        "InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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}

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