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Substance Name: Chromate(1-), bis(4-(2-(4-(ethylsulfonyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1), compds. with hexamethylenediamine
RN: 106866-56-2
InChIKey: BQMPUPYDJSKHPQ-NAYDCRHMSA-K

Classification Code

  • TSCA UVCB

Molecular Formula

  • C36-H32-Cr-N8-O8-S2.C6-H16-N2.H

Molecular Weight

  • 938.0391
 
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Names and Synonyms

Synonym

  • Reaction product of 2,4-dihydro-4-((2-hydroxy-4-(ethylsulfonyl)phenyl)azo)-5-methyl-2-phenylpyrazol-3-one, hexamethylenediamine, and a chrome(III) salt

Systematic Names

  • Chromate(1-), bis(4-((4-(ethylsulfonyl)-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogen, compds. with hexamethylenediamine
  • Chromate(1-), bis(4-(2-(4-(ethylsulfonyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1), compds. with hexamethylenediamine

Registry Numbers

CAS Registry Number

  • 106866-56-2

System Generated Number

  • 0106866562

Molecular Formulas

Molecular Formula

  • C36-H32-Cr-N8-O8-S2.C6-H16-N2.H

Molecular Formula Fragments

  • C36-H32-Cr-N8-O8-S2
  • C6-H16-N2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C18H18N4O4S.C6H16N2.Cr/c2*1-3-27(25,26)14-9-10-15(16(23)11-14)19-20-17-12(2)21-22(18(17)24)13-7-5-4-6-8-13;7-5-3-1-2-4-6-8;/h2*4-11,23-24H,3H2,1-2H3;1-8H2;/q;;;+3/p-3/b2*20-19+;;

InChIKey

BQMPUPYDJSKHPQ-NAYDCRHMSA-K

Smiles

[H+].CCS(=O)(=O)c1cc2c(cc1)/N=N/c3c(n(nc3C)c4ccccc4)O[Cr-]5(O2)Oc6n(nc(c6/N=N/c7c(cc(cc7)S(=O)(=O)CC)O5)C)c8ccccc8.C(CCN)CCCN