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Substance Name: Chromate(5-), bis(3-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, sodium (1:5)
RN: 72429-12-0
InChIKey: AVRWSBBFSZXDRJ-CIFGFFTFSA-F

Molecular Formula

  • C40-H14-Cl8-Cr-N10-O16-S4.5Na

Molecular Weight

  • 1469.44
 
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Names and Synonyms

Synonym

  • EINECS 276-660-0

Systematic Names

  • Chromate(5-), bis(3-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-4-(hydroxy-kappaO)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, pentasodium
  • Chromate(5-), bis(3-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(4-))-, sodium (1:5)
  • Pentasodium bis(3-((5-chloro-2-hydroxyphenyl)azo)-4-hydroxy-5-((2,5,6-trichloro-4-pyrimidinyl)amino)naphthalene-2,7-disulphonato(4-))chromate(5-)

Registry Numbers

CAS Registry Number

  • 72429-12-0

System Generated Number

  • 0072429120

Molecular Formulas

Molecular Formula

  • C40-H14-Cl8-Cr-N10-O16-S4.5Na

Molecular Formula Fragments

  • C40-H14-Cl8-Cr-N10-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C20H11Cl4N5O8S2.Cr.5Na/c2*21-8-1-2-12(30)10(5-8)28-29-16-13(39(35,36)37)4-7-3-9(38(32,33)34)6-11(14(7)17(16)31)25-19-15(22)18(23)26-20(24)27-19;;;;;;/h2*1-6,30-31H,(H,25,26,27)(H,32,33,34)(H,35,36,37);;;;;;/q;;+3;5*+1/p-8/b2*29-28+;;;;;;

InChIKey

AVRWSBBFSZXDRJ-CIFGFFTFSA-F

Smiles

c1(c(c(cc2c1c(cc(c2)S([O-])(=O)=O)Nc1nc(Cl)nc(c1Cl)Cl)S([O-])(=O)=O)\N=N\c1c(ccc(c1)Cl)[O-])[O-].[Cr+3].[Na+].c1(c2c(cc(c1\N=N\c1c(ccc(c1)Cl)[O-])S([O-])(=O)=O)cc(cc2Nc1nc(nc(c1Cl)Cl)Cl)S([O-])(=O)=O)[O-].[Na+].[Na+].[Na+].[Na+]