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Substance Name: Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, trihydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1)
RN: 74411-37-3
InChIKey: IZQCTSJFYYESNQ-HFJGHOORSA-K

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.C11-H25-N-O.3H

Molecular Weight

  • 1075.0422
 
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Names and Synonyms

  • Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, trihydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1)

Registry Numbers

CAS Registry Number

  • 74411-37-3

System Generated Number

  • 0074411373

Molecular Formulas

Molecular Formula

  • C32-H20-Cr-N10-O14-S2.C11-H25-N-O.3H

Molecular Formula Fragments

  • C11-H25-N-O
  • C32-H20-Cr-N10-O14-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C16H13N5O7S.C11H25NO.Cr/c2*1-9-2-11(4-13(22)3-9)20-8-10(7-17-20)18-19-14-5-12(21(24)25)6-15(16(14)23)29(26,27)28;1-3-5-7-11(4-2)10-13-9-6-8-12;/h2*2-8,22-23H,1H3,(H,26,27,28);11H,3-10,12H2,1-2H3;/q;;;+3/p-3/b2*19-18+;;

InChIKey

IZQCTSJFYYESNQ-HFJGHOORSA-K

Smiles

CCCCC(CC)COCCCN.Cc1cc2O[Cr-3]345(Oc6cc(C)cc(c6)n7cc(cn7)N=Nc8cc(cc(c8O3)S(=O)(=O)O4)[N+](=O)[O-])Oc9c(cc(cc9S(=O)(=O)O5)[N+](=O)[O-])N=Nc%10cnn(c%10)c(c1)c2