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Substance Name: Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(2-(4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)
RN: 72828-87-6
InChIKey: IKLJQUKIHIKJOO-BTKVJIOYSA-M

Molecular Formula

  • C24-H23-N5-O6-S2.Na

Molecular Weight

  • 563.589
 
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Names and Synonyms

Synonyms

  • 5-Oxo-3-methyl-4-((3-(((4-methylphenyl)amino)sulfonyl)-4-methylphenyl)azo)-1-(4-sulfophenyl)pyrazole, sodium salt
  • EINECS 276-892-2

Systematic Names

  • Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, monosodium salt
  • Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)zo)-5-oxo-1H-pyrazol-1-yl)-, monosodium salt
  • Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(2-(4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)
  • Sodium p-(4,5-dihydro-3-methyl-4-((3-((p-tolylamino)sulphonyl)-p-tolyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 72828-87-6

System Generated Number

  • 0072828876

Molecular Formulas

Molecular Formula

  • C24-H23-N5-O6-S2.Na

Molecular Formula Fragments

  • C24-H23-N5-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H23N5O6S2.Na/c1-15-4-7-18(8-5-15)28-36(31,32)22-14-19(9-6-16(22)2)25-26-23-17(3)27-29(24(23)30)20-10-12-21(13-11-20)37(33,34)35;/h4-14,23,28H,1-3H3,(H,33,34,35);/q;+1/p-1/b26-25+;

InChIKey

IKLJQUKIHIKJOO-BTKVJIOYSA-M

Smiles

[Na+].c1(ccc(cc1)N1N=C([C@@H](C1=O)\N=N\c1cc(c(cc1)C)S(=O)(=O)Nc1ccc(cc1)C)C)S(=O)(=O)[O-]