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Substance Name: Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium (1:1)
RN: 68227-17-8
InChIKey: DEEMHKJYFGTNJQ-HRBIVCMLSA-K

Molecular Formula

  • C28-H24-Cr-N4-O6.Na

Molecular Weight

  • 587.506
 
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Names and Synonyms

Synonym

  • EINECS 269-336-5

Systematic Names

  • Chromate(1-), (2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium
  • Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium (1:1)
  • Sodium (5-tert-butylsalicylato(2-)O1,O2)(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)

Registry Numbers

CAS Registry Number

  • 68227-17-8

System Generated Number

  • 0068227178

Molecular Formulas

Molecular Formula

  • C28-H24-Cr-N4-O6.Na

Molecular Formula Fragments

  • C28-H24-Cr-N4-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H13N4O3.C11H14O3.Cr.Na/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;1-11(2,3)7-4-5-9(12)8(6-7)10(13)14;;/h2-10H,1H3,(H,23,24);4-6,12H,1-3H3,(H,13,14);;/q-1;;+3;+1/p-3/b19-18+;;;

InChIKey

DEEMHKJYFGTNJQ-HRBIVCMLSA-K

Smiles

c1cc(c(cc1)\N=N\[C@@-]1C(=NN(C1=O)c1ccccc1)C)C([O-])=O.c1(ccc(c(c1)C([O-])=O)[O-])C(C)(C)C.[Cr+3].[Na+]