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Substance Name: Chromate(3-), bis(2-(hydroxy-kappaO)-5-nitro-3-(2-(2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(3-))-, hydrogen (1:3)
RN: 72796-99-7
InChIKey: PSRINVPTEZJTOT-VFUQPONKSA-M

Molecular Formula

  • C32-H22-Cr-N8-O16-S2.3H

Molecular Weight

  • 893.718
 
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Names and Synonyms

Synonyms

  • Chromate(3-), bis(2-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-3-oxo-N-phenylbutanamidato(2-))-, trihydrogen
  • EINECS 276-841-4

Systematic Names

  • Chromate(3-), bis(2-(hydroxy-kappaO)-5-nitro-3-((2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)azo-kappaN1)benzenesulfonato(3-))-, trihydrogen
  • Chromate(3-), bis(2-(hydroxy-kappaO)-5-nitro-3-(2-(2-(oxo-kappaO)-1-((phenylamino)carbonyl)propyl)diazenyl-kappaN1)benzenesulfonato(3-))-, hydrogen (1:3)
  • Trihydrogen bis(2-hydroxy-5-nitro-3-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)benzenesulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 72796-99-7

System Generated Number

  • 0072796997

Molecular Formulas

Molecular Formula

  • C32-H22-Cr-N8-O16-S2.3H

Molecular Formula Fragments

  • C32-H22-Cr-N8-O16-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C16H13N4O8S.Cr/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2*2-8,22H,1H3,(H,17,23)(H,26,27,28);/q2*-1;+3/p-1/b2*19-18+;

InChIKey

PSRINVPTEZJTOT-VFUQPONKSA-M

Smiles

[N+]([O-])(=O)c1cc(\N=N\[C@@-](C(=O)Nc2ccccc2)C(=O)C)c(c(c1)S([O-])(=O)=O)[O-].[N+](c1cc(c(c(c1)S([O-])(=O)=O)[O-])\N=N\[C@@-](C(Nc1ccccc1)=O)C(C)=O)([O-])=O.[Cr+3]