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Substance Name: Cuprate(2-), (3-(hydroxy-kappaO)-4-(2-(2-(oxo-kappaO)-1-(((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(2-))-, hydrogen (1:2)
RN: 68400-22-6
InChIKey: UOGUPOYSUAMMDQ-ANVLNOONSA-M

Molecular Formula

  • C18-H15-Cu-N3-O12-S3.2H

Molecular Weight

  • 627.0853
 
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Names and Synonyms

Synonym

  • EINECS 270-013-6

Systematic Names

  • Cuprate(2-), (3-(hydroxy-kappaO)-4-((2-(oxo-kappaO)-1-(((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)propyl)azo-kappaN1)benzenesulfonato(2-))-, dihydrogen
  • Cuprate(2-), (3-(hydroxy-kappaO)-4-(2-(2-(oxo-kappaO)-1-(((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(2-))-, hydrogen (1:2)
  • Dihydrogen (3-hydroxy-4-((2-oxo-1-(((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)amino)carbonyl)propyl)azo)benzenesulphonato(2-))cuprate(2-)

Registry Numbers

CAS Registry Number

  • 68400-22-6

System Generated Number

  • 0068400226

Molecular Formulas

Molecular Formula

  • C18-H15-Cu-N3-O12-S3.2H

Molecular Formula Fragments

  • C18-H15-Cu-N3-O12-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C18H18N3O12S3.Cu/c1-11(22)17(21-20-15-7-6-14(10-16(15)23)35(27,28)29)18(24)19-12-2-4-13(5-3-12)34(25,26)9-8-33-36(30,31)32;/h2-7,10,23H,8-9H2,1H3,(H,19,24)(H,27,28,29)(H,30,31,32);/q-1;+2/p-1/b21-20+;

InChIKey

UOGUPOYSUAMMDQ-ANVLNOONSA-M

Smiles

[H+].[H+].CC(=O)[C-](C(=O)Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])/N=N/c2ccc(cc2[O-])S(=O)(=O)[O-].[Cu+2]