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Substance Name: Cuprate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, hydrogen (1:2)
RN: 36655-19-3
InChIKey: TTZCMQGBZHELCU-RZLHGTIFSA-M

Molecular Formula

  • C18-H14-Cu-N4-O11-S3.2H

Molecular Weight

  • 624.0854
 
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Names and Synonyms

Synonym

  • 4-(4,5-Dihydro-4-((2-hydroxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(2-))copper

Systematic Names

  • Cuprate(2-), (4-(4,5-dihydro-4-((2-hydroxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonato(4-))-, dihydrogen
  • Cuprate(2-), (4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(4-))-, hydrogen (1:2)

Registry Numbers

CAS Registry Number

  • 36655-19-3

Other Registry Number

  • 35646-69-6

System Generated Number

  • 0036655193

Molecular Formulas

Molecular Formula

  • C18-H14-Cu-N4-O11-S3.2H

Molecular Formula Fragments

  • C18-H14-Cu-N4-O11-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C18H17N4O11S3.Cu/c1-11-17(18(24)22(21-11)12-2-4-13(5-3-12)35(27,28)29)20-19-15-10-14(6-7-16(15)23)34(25,26)9-8-33-36(30,31)32;/h2-7,10,23H,8-9H2,1H3,(H,27,28,29)(H,30,31,32);/q;+1/p-1/b20-19+;

InChIKey

TTZCMQGBZHELCU-RZLHGTIFSA-M

Smiles

[H+].[H+].CC1=NN2c3ccc(cc3)S(=O)(=O)O[Cu-2]45C1(C2=O)N=Nc6cc(ccc6O4)S(=O)(=O)CCOS(=O)(=O)O5