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Substance Name: Chromate(1-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))hydroxy-, (T-4)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1:1)
RN: 85443-67-0
InChIKey: QDCPZIFEPCQONN-GLCFPVLVSA-L

Molecular Formula

  • C16-H11-Cr-N5-O8-S.C11-H25-N-O.H

Molecular Weight

  • 673.684
 
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Names and Synonyms

Synonyms

  • Compound
  • EINECS 287-257-4

Systematic Names

  • Chromate(1-), (3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))hydroxy-, (T-4)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1)
  • Chromate(1-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))hydroxy-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1)
  • Chromate(1-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))hydroxy-, (T-4)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1:1)
  • Hydrogen (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))hydroxychromate(1-), compound with 3-((2-ethylhexyl)oxy)propylamine (1:1)

Registry Numbers

CAS Registry Number

  • 85443-67-0

System Generated Number

  • 0085443670

Molecular Formulas

Molecular Formula

  • C16-H11-Cr-N5-O8-S.C11-H25-N-O.H

Molecular Formula Fragments

  • C11-H25-N-O
  • C16-H11-Cr-N5-O8-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C16H12N5O7S.C11H25NO.Cr.H2O/c1-9-14(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;1-3-5-7-11(4-2)10-13-9-6-8-12;;/h2-8,22H,1H3,(H,26,27,28);11H,3-10,12H2,1-2H3;;1H2/q-1;;+3;/p-2/b18-17+;;;

InChIKey

QDCPZIFEPCQONN-GLCFPVLVSA-L

Smiles

[Cr+3].[OH-].[N+](c1cc(\N=N\[C@@-]2C(N(N=C2C)c2ccccc2)=O)c([O-])c(c1)S([O-])(=O)=O)([O-])=O.C(CCOC[C@@H](CCCC)CC)N