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Substance Name: Chromate(3-), bis(3-hydroxy-4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-1-naphthalenesulfonato(3-))-, hydrogen (1:3), compds. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine
RN: 72479-93-7
InChIKey: WZQQIBXINLAPAX-YAKLRDMXSA-K

Classification Code

  • TSCA UVCB

Molecular Formula

  • C40-H22-Cr-N4-O10-S2.C12-H23-N.C8-H19-N.3H

Molecular Weight

  • 1148.3493
 
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Names and Synonyms

  • Chromate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonato(3-))-, trihydrogen, compds. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine
  • Chromate(3-), bis(3-hydroxy-4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-1-naphthalenesulfonato(3-))-, hydrogen (1:3), compds. with N-butyl-1-butanamine and N-cyclohexylcyclohexanamine

Registry Numbers

CAS Registry Number

  • 72479-93-7

System Generated Number

  • 0072479937

Molecular Formulas

Molecular Formula

  • C40-H22-Cr-N4-O10-S2.C12-H23-N.C8-H19-N.3H

Molecular Formula Fragments

  • C12-H23-N
  • C40-H22-Cr-N4-O10-S2
  • C8-H19-N
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C20H14N2O5S.C12H23N.C8H19N.Cr/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)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*1-11,23-24H,(H,25,26,27);11-13H,1-10H2;9H,3-8H2,1-2H3;/q;;;;+3/p-3/b2*22-21+;;;

InChIKey

WZQQIBXINLAPAX-YAKLRDMXSA-K

Smiles

[H+].[H+].[H+].CCCCNCCCC.c1cc2c(c\3c(cc2)O[Cr-3]456(OS(=O)(=O)c7c8c(c(c(c7)O4)/N=N3)cccc8)OS(=O)(=O)c9c2c(c(c(c9)O5)/N=N/c3c(ccc4c3cccc4)O6)cccc2)cc1.C1CCC(CC1)NC2CCCCC2