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Substance Name: Benzenesulfonic acid, 4-chloro-2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-5-methyl-, calcium salt (1:1)
RN: 94612-72-3
InChIKey: CLGACZIDUAQRQZ-QUABFQRHSA-L

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C17-H13-Cl3-N4-O7-S2.Ca

Molecular Weight

  • 593.864
 
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Names and Synonyms

  • Benzenesulfonic acid, 4-chloro-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-methyl-, calcium salt (1:1)
  • Benzenesulfonic acid, 4-chloro-2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-5-methyl-, calcium salt (1:1)

Registry Numbers

CAS Registry Number

  • 94612-72-3

Other Registry Numbers

  • 148240-74-8
  • 691410-39-6

System Generated Number

  • 0094612723

Molecular Formulas

Molecular Formula

  • C17-H13-Cl3-N4-O7-S2.Ca

Molecular Formula Fragments

  • C17-H13-Cl3-N4-O7-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C17H13Cl3N4O7S2.Ca/c1-7-3-15(33(29,30)31)12(4-9(7)18)21-22-16-8(2)23-24(17(16)25)13-5-11(20)14(6-10(13)19)32(26,27)28;/h3-6,16H,1-2H3,(H,26,27,28)(H,29,30,31);/q;+2/p-2/b22-21+;

InChIKey

CLGACZIDUAQRQZ-QUABFQRHSA-L

Smiles

[Ca+2].c1(c(cc(c(c1)C)Cl)\N=N\[C@@H]1C(=NN(C1=O)c1c(cc(c(c1)Cl)S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-]