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Substance Name: Dihydrogen (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(2-)
RN: 52953-39-6
InChIKey: CDGSDDABIHLFCU-YEIGCYPGSA-K

Molecular Formula

  • C36-H21-Cr-N8-O11-S.2H

Molecular Weight

  • 827.6847
 
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Names and Synonyms

Synonym

  • EINECS 258-272-3

Systematic Name

  • Dihydrogen (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)-7-nitronaphthalene-1-sulphonato(3-))chromate(2-)

Registry Numbers

CAS Registry Number

  • 52953-39-6

System Generated Number

  • 0052953396

Molecular Formulas

Molecular Formula

  • C36-H21-Cr-N8-O11-S.2H

Molecular Formula Fragments

  • C36-H21-Cr-N8-O11-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C20H13N3O7S.C16H13N5O4.Cr/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h1-10,24-25H,(H,28,29,30);2-9,22-23H,1H3;/q;;+3/p-3/b22-21+;18-17+;

InChIKey

CDGSDDABIHLFCU-YEIGCYPGSA-K

Smiles

[H+].[H+].Cc1c\2c(n(n1)c3ccccc3)O[Cr-2]45(Oc6ccc(cc6/N=N2)[N+](=O)[O-])Oc7ccc8ccccc8c7/N=N/c9c1ccc(cc1c(cc9O4)S(=O)(=O)O5)[N+](=O)[O-]