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Substance Name: EINECS 274-977-9
RN: 70880-03-4
InChIKey: HXGXPUJAVBCIFM-OKMQHXQQSA-H

Molecular Formula

  • C25-H11-Cl2-Cu-N7-O14-S4.4Na

Molecular Weight

  • 988.0729
 
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Names and Synonyms

Results Name

  • EINECS 274-977-9

Synonyms

  • 3-(3-Chloro-2-hydroxy-5-sulfophenyl)azo)-5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-2,7-naphthalenedisulfonic acid, tetrasodium salt, copper complex
  • EINECS 274-977-9

Systematic Names

  • Cuprate(4-), (3-((3-chloro-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(6-))-, tetrasodium
  • Cuprate(4-), (3-((3-chloro-2-hydroxy-5-sulfophenyl)azo)-5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-2,7-naphthalenedisulfonato(6-))-, tetrasodium
  • Cuprate(4-), (3-(2-(3-chloro-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(6-))-, sodium (1:4)
  • Tetrasodium (3-((3-chloro-2-hydroxy-5-sulphophenyl)azo)-5-((4-chloro-6-(3-sulphoanilino)-1,3,5-triazin-2-yl)amino)-4-hydroxynaphthalene-2,7-disulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 70880-03-4

Other Registry Number

  • 69721-07-9

System Generated Number

  • 0070880034

Molecular Formulas

Molecular Formula

  • C25-H11-Cl2-Cu-N7-O14-S4.4Na

Molecular Formula Fragments

  • C25-H11-Cl2-Cu-N7-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H17Cl2N7O14S4.Cu.4Na/c26-15-7-14(51(43,44)45)9-17(21(15)35)33-34-20-18(52(46,47)48)5-10-4-13(50(40,41)42)8-16(19(10)22(20)36)29-25-31-23(27)30-24(32-25)28-11-2-1-3-12(6-11)49(37,38)39;;;;;/h1-9,35-36H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,28,29,30,31,32);;;;;/q;+2;4*+1/p-6/b34-33+;;;;;

InChIKey

HXGXPUJAVBCIFM-OKMQHXQQSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].Clc1cc2cc3N=Nc4c5O[Cu-4]67(Oc13)(OS(=O)(=O)c8cccc(Nc9nc(Cl)nc(Nc%10cc(cc(cc4S(=O)(=O)O6)c5%10)S(=O)(=O)O7)n9)c8)OS2(=O)=O