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Substance Name: Chromate(1-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-(2-(5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)diazenyl-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen (1:1)
RN: 72928-87-1
InChIKey: UCIWBDSVBUGACT-GNJWUISSSA-M

Molecular Formula

  • C38-H35-Cr-N11-O10-S.H

Molecular Weight

  • 890.831
 
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Names and Synonyms

Synonym

  • EINECS 277-097-3

Systematic Names

  • Chromate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen
  • Chromate(1-), (2,4-dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(3-(4-((5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen
  • Chromate(1-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-methyl-3-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(3-(4-(2-(5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)diazenyl-kappaN1)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonamidato(2-))-, hydrogen (1:1)

Registry Numbers

CAS Registry Number

  • 72928-87-1

System Generated Number

  • 0072928871

Molecular Formulas

Molecular Formula

  • C38-H35-Cr-N11-O10-S.H

Molecular Formula Fragments

  • C38-H35-Cr-N11-O10-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C21H23N6O6S.C17H14N5O4.Cr/c1-12-18(20(29)26(25-12)14-6-5-7-15(10-14)34(22,32)33)24-23-16-8-13(11-21(2,3)4)9-17(19(16)28)27(30)31;1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12;/h5-10,28H,11H2,1-4H3,(H2,22,32,33);3-9,23H,1-2H3;/q2*-1;+3/p-1/b24-23+;19-18+;

InChIKey

UCIWBDSVBUGACT-GNJWUISSSA-M

Smiles

[Cr+3].c1(N2C([C@@-](C(=N2)C)\N=N\c2cc(cc([N+]([O-])=O)c2[O-])CC(C)(C)C)=O)cc(S(N)(=O)=O)ccc1.c1(ccccc1)N1N=C([C@@-](C1=O)\N=N\c1c(c(cc(c1)C)[N+]([O-])=O)[O-])C