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Substance Name: Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-(2-(4-(((4-methylphenyl)sulfonyl)(phenylmethyl)amino)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)
RN: 71873-42-2
InChIKey: TYIFQPRWCFZMKE-GGTLNOMSSA-M

Molecular Formula

  • C30-H25-Cl2-N5-O6-S2.Na

Molecular Weight

  • 708.577
 
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Names and Synonyms

Synonym

  • EINECS 276-118-3

Systematic Names

  • Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)(phenylmethyl)amino)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, sodium salt
  • Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-4-(2-(4-(((4-methylphenyl)sulfonyl)(phenylmethyl)amino)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)
  • Sodium 4-(4-((4-(benzyl(p-tolylsulphonyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-2,5-dichlorobenzenesulphonate

Registry Numbers

CAS Registry Number

  • 71873-42-2

System Generated Number

  • 0071873422

Molecular Formulas

Molecular Formula

  • C30-H25-Cl2-N5-O6-S2.Na

Molecular Formula Fragments

  • C30-H25-Cl2-N5-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H25Cl2N5O6S2.Na/c1-19-8-14-24(15-9-19)44(39,40)36(18-21-6-4-3-5-7-21)23-12-10-22(11-13-23)33-34-29-20(2)35-37(30(29)38)27-16-26(32)28(17-25(27)31)45(41,42)43;/h3-17,29H,18H2,1-2H3,(H,41,42,43);/q;+1/p-1/b34-33+;

InChIKey

TYIFQPRWCFZMKE-GGTLNOMSSA-M

Smiles

[Na+].c1(c(cc(c(c1)Cl)N1N=C([C@@H](C1=O)\N=N\c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C)C)Cl)S(=O)(=O)[O-]