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Substance Name: Disodium (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))(2-(((2-hydroxy-5-nitrophenyl)imino)methyl)-4-(phenylazo)phenolato(2-))chromate(2-)
RN: 94246-67-0
InChIKey: JRYRJSHVWAKOGU-CEVRZXFMSA-J

Molecular Formula

  • C35-H22-Cr-N9-O11-S.2Na

Molecular Weight

  • 874.6528
 
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Names and Synonyms

Synonym

  • EINECS 304-140-6

Systematic Name

  • Disodium (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))(2-(((2-hydroxy-5-nitrophenyl)imino)methyl)-4-(phenylazo)phenolato(2-))chromate(2-)

Registry Numbers

CAS Registry Number

  • 94246-67-0

System Generated Number

  • 0094246670

Molecular Formulas

Molecular Formula

  • C35-H22-Cr-N9-O11-S.2Na

Molecular Formula Fragments

  • C35-H22-Cr-N9-O11-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H14N4O4.C16H12N5O7S.Cr.2Na/c24-18-8-6-15(22-21-14-4-2-1-3-5-14)10-13(18)12-20-17-11-16(23(26)27)7-9-19(17)25;1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;/h1-12,24-25H;2-8,22H,1H3,(H,26,27,28);;;/q;;3*+2/p-4/b20-12+,22-21+;18-17+;;;

InChIKey

JRYRJSHVWAKOGU-CEVRZXFMSA-J

Smiles

CC1=NN(C(=O)C12N=Nc3cc(cc4c3O[Cr-2]25(Oc6ccc(cc6/C=N/c7cc(ccc7O5)[N+](=O)[O-])/N=N/c8ccccc8)OS4(=O)=O)[N+](=O)[O-])c9ccccc9.[Na+2].[Na+2]