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Substance Name: Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(3-((3-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)(phenylmethyl)amino)-4-methylphenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 71113-17-2
InChIKey: WTTQHIZONVSHMC-JBECXHOASA-N

Molecular Formula

  • C41-H31-Cl4-N9-O9-S2.2Na

Molecular Weight

  • 1045.6739
 
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Names and Synonyms

Synonym

  • 2,5-Dichloro-4-(4-((3-(((5-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-methylphenyl)(phenylmethyl)amino)carbonyl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid, disodium salt

Systematic Names

  • Benzenesulfonic acid, 2,5-dichloro-4-(4-((3-((3-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)(phenylmethyl)amino)-4-methylphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
  • Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(3-((3-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)(phenylmethyl)amino)-4-methylphenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 71113-17-2

System Generated Number

  • 0071113172

Molecular Formulas

Molecular Formula

  • C41-H31-Cl4-N9-O9-S2.2Na

Molecular Formula Fragments

  • C41-H31-Cl4-N9-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H31Cl4N9O9S2.2Na/c1-21-12-13-27(47-49-38-23(3)51-54(41(38)57)34-17-31(45)36(19-29(34)43)65(61,62)63)15-32(21)52(20-24-8-5-4-6-9-24)39(55)25-10-7-11-26(14-25)46-48-37-22(2)50-53(40(37)56)33-16-30(44)35(18-28(33)42)64(58,59)60;;/h4-19,37-38H,20H2,1-3H3,(H,58,59,60)(H,61,62,63);;/q;2*+1/b48-46+,49-47+;;

InChIKey

WTTQHIZONVSHMC-JBECXHOASA-N

Smiles

Cc1ccc(cc1N(Cc2ccccc2)C(=O)c3cccc(c3)/N=N/C4C(=NN(C4=O)c5cc(c(cc5Cl)S(=O)(=O)O)Cl)C)/N=N/C6C(=NN(C6=O)c7cc(c(cc7Cl)S(=O)(=O)O)Cl)C.[Na+].[Na+]