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Substance Name: Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, sodium (1:1)
RN: 70281-41-3
InChIKey: DJTVAJQYEHOLGK-CSKKWLDISA-K

Molecular Formula

  • C36-H28-Cl-Cr-N7-O9-S2.Na

Molecular Weight

  • 877.228
 
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Names and Synonyms

Synonym

  • Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))(N-(7-hydroxy-8-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, sodium

Systematic Names

  • Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)(N-(7-(hydroxy-kappaO)-8-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-1-naphthalenyl)acetamidato(2-))-, sodium
  • Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))(N-(7-hydroxy-8-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, sodium
  • Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, sodium (1:1)

Registry Numbers

CAS Registry Number

  • 70281-41-3

System Generated Number

  • 0070281413

Molecular Formulas

Molecular Formula

  • C36-H28-Cl-Cr-N7-O9-S2.Na

Molecular Formula Fragments

  • C36-H28-Cl-Cr-N7-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H17N3O5S.C17H14ClN4O4S.Cr.Na/c1-11(23)20-14-5-3-4-12-6-8-17(25)19(18(12)14)22-21-15-10-13(28(2,26)27)7-9-16(15)24;1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;;/h3-10,24-25H,1-2H3,(H,20,23);3-9,23H,1-2H3;;/q;-1;+3;+1/p-3/b22-21+;20-19+;;

InChIKey

DJTVAJQYEHOLGK-CSKKWLDISA-K

Smiles

c1(cccc(c1)Cl)N1N=C([C@@-](C1=O)\N=N\c1c(ccc(S(C)(=O)=O)c1)[O-])C.S(=O)(c1ccc(c(\N=N\c2c(ccc3c2c(ccc3)NC(=O)C)[O-])c1)[O-])(=O)C.[Cr+3].[Na+]