Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate

1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)
1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt
C.I. Reactive Red 241
Drimarene Red CL 5B
Everzol Red 3BS
Intrajet Magenta VER
Reactive Red 241
Reactive Red 3BS
Reactive Red D 2BF
Rifafix Red 3BN

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BUBBXEFEHIIOQX-UHFFFAOYSA-N, YYOYUTRZHZNCFZ-UHFFFAOYSA-I
InChI2D string chemrof:inchi2d_string	InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;;;;;/h1-9,12-14,40H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5
IUPAC name chemrof:IUPAC_name	1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)
Molecular formula chemrof:molecular_formula	C31H19ClN7Na5O19S6, C31H24ClN7Na5O19S6
SMILES string chemrof:smiles_string	O=S(=O)([O-])OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])c(N=Nc5ccc6c(S(=O)(=O)[O-])cccc6c5S(=O)(=O)[O-])c(O)c34)n2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+]

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=89157-03-9	enrich_references.consensus_cas_link
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/137222101	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
4c2fa81a-3c6b-4d50-b91c-bca29080744d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
ab2647f1-da22-49d0-9904-e3f8d943b46d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
b617512b-a3e3-4597-bc0c-b9128b407ddf	Environmental → Air → Indoor	EF 3.1	kg	4
18849ccd-8f09-4b21-ab03-945272818744	Environmental → Air → Long-term	EF 3.1	kg	0
70297008-2886-4d79-998e-c3823307bd99	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
d6cfa3b4-55ee-4fa5-b641-e394e2c00350	Environmental → Air → Unknown	EF 3.1	kg	4
263551e6-e0b4-4d0e-933f-114bd80da9e5	Environmental → Ground → Agricultural	EF 3.1	kg	4
23ab6e64-0ef1-44f9-a4ea-4cef3665a363	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
16ae1334-1b4c-4e0e-8c78-3a2b373998b7	Environmental → Ground → Unknown	EF 3.1	kg	4
07c945e5-12da-4f46-b54d-749f1f29c395	Environmental → Water → Long-term	EF 3.1	kg	0
552bac83-2fba-4730-9504-a5b9185e493d	Environmental → Water → Ocean	EF 3.1	kg	2
6d1e6d2c-d545-4b18-9149-4fb0415f5095	Environmental → Water → Surface water	EF 3.1	kg	4
bfe49aa2-fd1c-408b-9512-65cf6b843ece	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-6bf07ef73edf5e09",
  "prefLabel": [
    {
      "@value": "Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)",
      "@language": "en",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Reactive Red 241",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Drimarene Red CL 5B",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Everzol Red 3BS",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Intrajet Magenta VER",
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        ],
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    },
    {
      "@value": "Reactive Red 241",
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        ],
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    },
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      "@value": "Reactive Red 3BS",
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    },
    {
      "@value": "Reactive Red D 2BF",
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        ],
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      }
    },
    {
      "@value": "Rifafix Red 3BN",
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  "properties": {
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}

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Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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