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Substance Name: Cuprate(5-), (3-((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)-4-hydroxy-1,5-naphthalenedisulfonato(7-))-, pentahydrogen
RN: 38828-82-9
InChIKey: FNXXJGNBSVAQDJ-NEXOKREQSA-L

Molecular Formula

  • C35-H17-Cl-Cu-N9-O18-S5.5H

Molecular Weight

  • 1115.9328
 
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Names and Synonyms

Synonym

  • EINECS 254-142-5

Systematic Name

  • Cuprate(5-), (3-((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)-4-hydroxy-1,5-naphthalenedisulfonato(7-))-, pentahydrogen

Registry Numbers

CAS Registry Number

  • 38828-82-9

System Generated Number

  • 0038828829

Molecular Formulas

Molecular Formula

  • C35-H17-Cl-Cu-N9-O18-S5.5H

Molecular Formula Fragments

  • C35-H17-Cl-Cu-N9-O18-S5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C35H24ClN9O18S5.Cu/c36-33-39-34(37-15-3-1-4-17(11-15)64(49,50)51)41-35(40-33)38-16-7-9-21(26(12-16)67(58,59)60)42-45-30-27(68(61,62)63)13-20-18(31(30)47)8-10-23(46)29(20)44-43-22-14-25(66(55,56)57)19-5-2-6-24(65(52,53)54)28(19)32(22)48;/h1-14,46-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H2,37,38,39,40,41);/q;+2/p-2/b44-43+,45-42+;

InChIKey

FNXXJGNBSVAQDJ-NEXOKREQSA-L

Smiles

[H+].[H+].[H+].[H+].[H+].c1cc2cc(c1)S(=O)(=O)O[Cu-5]34567Oc8ccc9c(c8/N=N/c1cc(c8cccc(c8c1O)S(=O)(=O)O3)S(=O)(=O)O4)cc(c(c9O5)/N=N/c1ccc(cc1S(=O)(=O)O6)Nc1nc(nc(n1)Cl)N2)S(=O)(=O)O7