Consensus flow list

Identity

Type
Chemical salt
CAS
70210-13-8
EC
274-410-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IIMOJJFYMPDGLR-UHFFFAOYSA-N, QODWDUXKFKJVCQ-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3
IUPAC name chemrof:IUPAC_name Trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate
Molecular formula chemrof:molecular_formula C27H19ClN9Na3O9S3, C27H22ClN9Na3O9S3
SMILES string chemrof:smiles_string Cc1cc(N=Nc2ccc(Nc3nc(N)nc(Cl)n3)c3c(S(=O)(=O)[O-])cccc23)c(C)cc1N=Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-].[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=70210-13-8 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131883712 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
ab5a1c67-7ff5-414e-a9b1-901ba8abc75d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
811a3642-d877-48c1-ac9c-c6cf5be102ad Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a8aa3b0c-c8c1-44ce-b5ab-4b8bc9c976f9 Environmental → Air → Indoor EF 3.1 kg 4
370fb1ac-6ea5-49b5-b4bd-86d1a60b2e75 Environmental → Air → Long-term EF 3.1 kg 0
47278e84-d02d-43d8-9d4b-57d1634c96a4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e4901126-87e1-4f66-92fb-c15ddc799734 Environmental → Air → Unknown EF 3.1 kg 4
0899459c-892b-47ea-b1a1-328402fe607a Environmental → Ground → Agricultural EF 3.1 kg 4
ce475507-0e44-4e5f-9e08-26dcc812fa8d Environmental → Ground → Non-agricultural EF 3.1 kg 4
fdacf725-6ece-462f-9c28-b86d2ebd7888 Environmental → Ground → Unknown EF 3.1 kg 4
959076cd-2d59-4101-9dc1-0d81169a49ea Environmental → Water → Long-term EF 3.1 kg 0
65db4484-38b3-4674-b53b-63ca8468eede Environmental → Water → Ocean EF 3.1 kg 4
72d1b53a-4d86-4334-9806-c4ad8bfcfe4d Environmental → Water → Surface water EF 3.1 kg 4
3a555b24-c736-4aa2-a02e-0ecc47cd9de5 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
{
  "flow_object_id": "fo-b4238a32d394d2ab",
  "prefLabel": [
    {
      "@value": "Trisodium 2-{[4-({4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl}diazenyl)-2,5-dimethylphenyl]diazenyl}benzene-1,4-disulfonate",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)",
      "@language": "en",
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        ],
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    },
    {
      "@value": "1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-, trisodium salt",
      "@language": "en",
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      "rdfs:label": "SMILES",
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        },
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      "rdfs:label": "InChI",
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}

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