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Substance Name: Cuprate(6-), (7-(2-(6-(2-(4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-2-(hydroxy-kappaO)-5-hydroxy-7-sulfo-1-naphthalenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,5-naphthalenetrisulfonato(8-))-, hydrogen (1:6)
RN: 67827-85-4
InChIKey: DOPSFAKZOQWLAY-NEXOKREQSA-L

Molecular Formula

  • C35-H16-Cl-Cu-N9-O21-S6.6H

Molecular Weight

  • 1195.9958
 
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Names and Synonyms

Synonym

  • 1,3,5-Naphthalenetrisulfonic acid, 7-((6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-2,5-dihydroxy-7-sulfo-1-naphthalenyl)azo)-8-hydroxy-, copper complex

Systematic Names

  • Cuprate(6-), (7-((6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-2-(hydroxy-kappaO)-5-hydroxy-7-sulfo-1-naphthalenyl)azo-kappaN1)-8-(hydroxy-kappaO)-1,3,5-naphthalenetrisulfonato(8-))-, hexahydrogen
  • Cuprate(6-), (7-(2-(6-(2-(4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-2-(hydroxy-kappaO)-5-hydroxy-7-sulfo-1-naphthalenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,5-naphthalenetrisulfonato(8-))-, hydrogen (1:6)

Registry Numbers

CAS Registry Number

  • 67827-85-4

System Generated Number

  • 0067827854

Molecular Formulas

Molecular Formula

  • C35-H16-Cl-Cu-N9-O21-S6.6H

Molecular Formula Fragments

  • C35-H16-Cl-Cu-N9-O21-S6
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C35H24ClN9O21S6.Cu/c36-33-39-34(37-14-2-1-3-16(8-14)67(49,50)51)41-35(40-33)38-15-4-6-21(25(9-15)70(58,59)60)42-45-30-27(72(64,65)66)12-19-18(31(30)47)5-7-23(46)29(19)44-43-22-13-24(69(55,56)57)20-10-17(68(52,53)54)11-26(71(61,62)63)28(20)32(22)48;/h1-13,46-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,37,38,39,40,41);/q;+2/p-2/b44-43+,45-42+;

InChIKey

DOPSFAKZOQWLAY-NEXOKREQSA-L

Smiles

[H+].[H+].[H+].[H+].[H+].[H+].c1cc2cc(c1)S(=O)(=O)O[Cu-6]345678Oc9ccc1c(c9/N=N/c9cc(c%10cc(cc(c%10c9O)S(=O)(=O)O3)S(=O)(=O)O4)S(=O)(=O)O5)cc(c(c1O6)/N=N/c1ccc(cc1S(=O)(=O)O7)Nc1nc(nc(n1)Cl)N2)S(=O)(=O)O8