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Substance Name: Chromate(3-), bis(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(3-)-kappaO)-, hydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine (1:3:?:?)
RN: 72479-91-5
InChIKey: MVIOKMZQSAKCAT-CKOIWFHQSA-M

Molecular Formula

  • C34-H22-Cr-N8-O12-S2.C12-H23-N.C8-H19-N.3H

Molecular Weight

  • 1164.31
 
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Names and Synonyms

  • Chromate(3-), bis(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo-kappaN1)benzoato(3-)-kappaO)-, trihydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine
  • Chromate(3-), bis(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(3-)-kappaO)-, hydrogen, compd. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine (1:3:?:?)

Registry Numbers

CAS Registry Number

  • 72479-91-5

Other Registry Number

  • 61813-59-0

System Generated Number

  • 0072479915

Molecular Formulas

Molecular Formula

  • C34-H22-Cr-N8-O12-S2.C12-H23-N.C8-H19-N.3H

Molecular Formula Fragments

  • C12-H23-N
  • C34-H22-Cr-N8-O12-S2
  • C8-H19-N
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C17H13N4O6S.C12H23N.C8H19N.Cr/c2*1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-9-8-6-4-2;/h2*2-9H,1H3,(H,23,24)(H,25,26,27);11-13H,1-10H2;9H,3-8H2,1-2H3;/q2*-1;;;+3/p-1/b2*19-18+;;;

InChIKey

MVIOKMZQSAKCAT-CKOIWFHQSA-M

Smiles

c1(ccc(cc1)N1C([C@@-](C(=N1)C)\N=N\c1c(cccc1)C([O-])=O)=O)S([O-])(=O)=O.c1(ccc(cc1)N1C([C@@-](C(=N1)C)\N=N\c1c(cccc1)C([O-])=O)=O)S([O-])(=O)=O.[Cr+3].C1(CCCCC1)NC1CCCCC1.C(CCC)NCCCC