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Substance Name: Chromate(3-), bis(4-(2-(1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, hydrogen (1:3)
RN: 68833-90-9
InChIKey: XUHRYPDQBZXXAB-GQPWVPPYSA-M

Molecular Formula

  • C40-H22-Cl4-Cr-N8-O10-S2.3H

Molecular Weight

  • 1035.62
 
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Names and Synonyms

Synonym

  • EINECS 272-417-8

Systematic Names

  • Chromate(3-), bis(4-((1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, trihydrogen
  • Chromate(3-), bis(4-(2-(1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, hydrogen (1:3)
  • Trihydrogen bis(4-((1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 68833-90-9

System Generated Number

  • 0068833909

Molecular Formulas

Molecular Formula

  • C40-H22-Cl4-Cr-N8-O10-S2.3H

Molecular Formula Fragments

  • C40-H22-Cl4-Cr-N8-O10-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C20H13Cl2N4O5S.Cr/c2*1-10-17(20(28)26(25-10)15-9-12(21)6-7-14(15)22)23-24-18-13-5-3-2-4-11(13)8-16(19(18)27)32(29,30)31;/h2*2-9,27H,1H3,(H,29,30,31);/q2*-1;+3/p-1/b2*24-23+;

InChIKey

XUHRYPDQBZXXAB-GQPWVPPYSA-M

Smiles

c1(\N=N\[C@@-]2C(=NN(C2=O)c2c(ccc(c2)Cl)Cl)C)c2c(cccc2)cc(S([O-])(=O)=O)c1[O-].[Cr+3].c1(c2c(cc(c1[O-])S([O-])(=O)=O)cccc2)\N=N\[C@@-]1C(=NN(C1=O)c1c(ccc(c1)Cl)Cl)C