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Substance Name: Benzenesulfonic acid, 2-(2-(5-amino-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-4,5-dichloro-, calcium salt (1:1)
RN: 111071-53-5
InChIKey: QTQDGRZHBINSNZ-ANVLNOONSA-L

Classification Code

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

Molecular Formula

  • C16-H13-Cl2-N5-O6-S2.Ca

Molecular Weight

  • 544.4079
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 111071-53-5

System Generated Number

  • 0111071535

Molecular Formulas

Molecular Formula

  • C16-H13-Cl2-N5-O6-S2.Ca

Molecular Formula Fragments

  • C16-H13-Cl2-N5-O6-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C16H13Cl2N5O6S2.Ca/c1-8-15(21-20-13-6-11(17)12(18)7-14(13)31(27,28)29)16(19)23(22-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7H,19H2,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b21-20+;

InChIKey

QTQDGRZHBINSNZ-ANVLNOONSA-L

Smiles

c1(n(nc(c1/N=N/c1c(S(=O)(=O)[O-])cc(c(c1)Cl)Cl)C)c1cc(S(=O)(=O)[O-])ccc1)N.[Ca+2]