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Substance Name: Cuprate(5-), (4-amino-3-(2-(2,5-disulfophenyl)diazenyl)-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(7-))-, hydrogen (1:5)
RN: 72208-06-1
InChIKey: ZASREAQWESLEQM-ITGFPFMLSA-L

Molecular Formula

  • C24-H14-Cu-N5-O20-S6.5H

Molecular Weight

  • 953.3711
 
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Names and Synonyms

  • Cuprate(5-), (4-amino-3-((2,5-disulfophenyl)azo)-5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(7-))-, pentahydrogen
  • Cuprate(5-), (4-amino-3-(2-(2,5-disulfophenyl)diazenyl)-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(7-))-, hydrogen (1:5)

Registry Numbers

CAS Registry Number

  • 72208-06-1

System Generated Number

  • 0072208061

Molecular Formulas

Molecular Formula

  • C24-H14-Cu-N5-O20-S6.5H

Molecular Formula Fragments

  • C24-H14-Cu-N5-O20-S6
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C24H21N5O20S6.Cu/c25-21-20-11(7-18(53(40,41)42)22(21)28-27-15-10-13(51(34,35)36)2-4-17(15)52(37,38)39)8-19(54(43,44)45)23(24(20)31)29-26-14-9-12(1-3-16(14)30)50(32,33)6-5-49-55(46,47)48;/h1-4,7-10,30-31H,5-6,25H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);/q;+2/p-2/b28-27+,29-26+;

InChIKey

ZASREAQWESLEQM-ITGFPFMLSA-L

Smiles

[H+].[H+].[H+].[H+].[H+].c1cc2c\3cc1S(=O)(=O)CCOS(=O)(=O)O[Cu-5]4567(O2)Oc8c9c(cc(c(c9N)/N=N/c1cc(ccc1S(=O)(=O)O4)S(=O)(=O)O5)S(=O)(=O)O6)cc(c8/N=N3)S(=O)(=O)O7