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Substance Name: Chromate(4-), (5-chloro-2-(hydroxy-kappaO)-3-(((2-(hydroxy-kappaO)-5-(2-(4-sulfophenyl)diazenyl)phenyl)methylene)amino)benzenesulfonato(4-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:4)
RN: 69373-03-1
InChIKey: XPYHCJUASUSYGN-YHKZPVQXSA-H

Molecular Formula

  • C35-H20-Cl-Cr-N8-O15-S3.4Na

Molecular Weight

  • 1068.191
 
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Names and Synonyms

  • Chromate(4-), (5-chloro-2-(hydroxy-kappaO)-3-(((2-(hydroxy-kappaO)-5-((4-sulfophenyl)azo)phenyl)methylene)amino)benzenesulfonato(4-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, tetrasodium
  • Chromate(4-), (5-chloro-2-(hydroxy-kappaO)-3-(((2-(hydroxy-kappaO)-5-(2-(4-sulfophenyl)diazenyl)phenyl)methylene)amino)benzenesulfonato(4-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 69373-03-1

Other Registry Numbers

  • 69551-26-4
  • 72829-31-3

System Generated Number

  • 0069373031

Molecular Formulas

Molecular Formula

  • C35-H20-Cl-Cr-N8-O15-S3.4Na

Molecular Formula Fragments

  • C35-H20-Cl-Cr-N8-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H14ClN3O8S2.C16H12N5O7S.Cr.4Na/c20-12-8-16(19(25)18(9-12)33(29,30)31)21-10-11-7-14(3-6-17(11)24)23-22-13-1-4-15(5-2-13)32(26,27)28;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;;;;;/h1-10,24-25H,(H,26,27,28)(H,29,30,31);2-8,22H,1H3,(H,26,27,28);;;;;/q;;+2;4*+1/p-6/b21-10+,23-22+;18-17+;;;;;

InChIKey

XPYHCJUASUSYGN-YHKZPVQXSA-H

Smiles

CC1=NN(C(=O)C12N=Nc3cc(cc4c3O[Cr-4]2567(Oc8ccc(cc8/C=N/c9cc(cc(c9O5)S(=O)(=O)O6)Cl)/N=N/c1ccc(cc1)S(=O)(=O)O7)OS4(=O)=O)[N+](=O)[O-])c1ccccc1.[Na+].[Na+].[Na+].[Na+]