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Substance Name: Cuprate(4-), (4,5-dihydro-4-(2-(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-6-sulfo-2-naphthalenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-))-, hydrogen (1:4)
RN: 57602-19-4
InChIKey: JQGSYTOMGGWEPY-TZUPDIQTSA-L

Molecular Formula

  • C29-H18-Cu-N6-O18-S4.4H

Molecular Weight

  • 934.3268
 
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Names and Synonyms

  • Cuprate(4-), (4,5-dihydro-4-((8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-6-sulfo-2-naphthalenyl)azo)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-))-, tetrahydrogen
  • Cuprate(4-), (4,5-dihydro-4-(2-(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-5-methoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-6-sulfo-2-naphthalenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylato(6-))-, hydrogen (1:4)

Registry Numbers

CAS Registry Number

  • 57602-19-4

System Generated Number

  • 0057602194

Molecular Formulas

Molecular Formula

  • C29-H18-Cu-N6-O18-S4.4H

Molecular Formula Fragments

  • C29-H18-Cu-N6-O18-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C29H24N6O18S4.Cu/c1-52-21-12-19(20(36)13-22(21)54(41,42)9-8-53-57(49,50)51)31-32-24-23(56(46,47)48)10-14-2-3-15(11-18(14)27(24)37)30-33-25-26(29(39)40)34-35(28(25)38)16-4-6-17(7-5-16)55(43,44)45;/h2-7,10-13,25,36-37H,8-9H2,1H3,(H,39,40)(H,43,44,45)(H,46,47,48)(H,49,50,51);/q;+2/p-2/b32-31+,33-30+;

InChIKey

JQGSYTOMGGWEPY-TZUPDIQTSA-L

Smiles

[H+].[H+].[H+].[H+].COc1cc\2c3cc1S(=O)(=O)CCOS(=O)(=O)O[Cu-4]456(O3)Oc7c8cc(ccc8cc(c7/N=N2)S(=O)(=O)O4)/N=N/C9C(=NN(C9=O)c1ccc(cc1)S(=O)(=O)O5)C(=O)O6