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Substance Name: Cuprate(4-), (3-carboxy-1-(4-((3-(2-((2-(2-(carboxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, sodium hydrogen (1:3:1)
RN: 89797-01-3
InChIKey: ZZDNKCBVFABVCP-UHFFFAOYSA-J

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C35-H19-Cl-Cu-N10-O14-S3.H.3Na

Molecular Weight

  • 1069.7739
 
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Names and Synonyms

Synonym

  • EC 404-670-9

Systematic Names

  • (Trisodium (2-((3-(6-(2-chloro-5-sulfonatoanilino)-4-(3-carboxypyridinio)-1,3,5-triazin-2-ylamino)-2-oxido-5-sulfonatophenylazo)phenylmethylazo)-4-sulfonatobenzoato)copper(3-)) hydroxide
  • Cuprate(4-), (3-carboxy-1-(4-((3-((((2-(carboxy-kappaO)-5-sulfophenyl)azo-kappaN2)phenylmethyl)azo-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, trisodium hydrogen
  • Cuprate(4-), (3-carboxy-1-(4-((3-(2-((2-(2-(carboxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-sulfophenyl)amino)-6-((2-chloro-5-sulfophenyl)amino)-1,3,5-triazin-2-yl)pyridiniumato(7-))-, sodium hydrogen (1:3:1)

Registry Numbers

CAS Registry Number

  • 89797-01-3

Other Registry Numbers

  • 131257-18-6
  • 97553-91-8

System Generated Number

  • 0089797013

Molecular Formulas

Molecular Formula

  • C35-H19-Cl-Cu-N10-O14-S3.H.3Na

Molecular Formula Fragments

  • C35-H19-Cl-Cu-N10-O14-S3
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C35H25ClN10O14S3.Cu.3Na/c36-24-11-9-21(62(55,56)57)14-26(24)37-33-39-34(41-35(40-33)46-12-4-7-19(17-46)31(48)49)38-27-15-22(63(58,59)60)16-28(29(27)47)43-45-30(18-5-2-1-3-6-18)44-42-25-13-20(61(52,53)54)8-10-23(25)32(50)51;;;;/h1-17,30H,(H7-,37,38,39,40,41,42,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60);;;;/q;+2;3*+1/p-4

InChIKey

ZZDNKCBVFABVCP-UHFFFAOYSA-J

Smiles

[Na+].[Na+].[Na+].Clc1ccc2cc1Nc3nc4Nc5cc6cc7N=NC(N=Nc8cc9ccc8C(=O)O[Cu-4](OC(=O)c%10ccc[n+](c%10)c(n3)n4)(Oc57)(OS2(=O)=O)(OS9(=O)=O)OS6(=O)=O)c%11ccccc%11