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Substance Name: Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((2-chloroacetyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 72379-42-1
InChIKey: NLDPUNQZQQOYAI-KPOOZVEVSA-L

Molecular Formula

  • C18-H14-Cl3-N5-O8-S2.2Na

Molecular Weight

  • 642.791
 
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Names and Synonyms

Synonym

  • EINECS 276-619-7

Systematic Names

  • Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((2-chloroacetyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
  • Benzenesulfonic acid, 4-((chloroacetyl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, disodium salt
  • Disodium 4-((chloroacetyl)amino)-2-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 72379-42-1

Other Registry Number

  • 57358-27-7

System Generated Number

  • 0072379421

Molecular Formulas

Molecular Formula

  • C18-H14-Cl3-N5-O8-S2.2Na

Molecular Formula Fragments

  • C18-H14-Cl3-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H14Cl3N5O8S2.2Na/c1-8-17(18(28)26(25-8)13-5-11(21)15(6-10(13)20)36(32,33)34)24-23-12-4-9(22-16(27)7-19)2-3-14(12)35(29,30)31;;/h2-6,17H,7H2,1H3,(H,22,27)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b24-23+;;

InChIKey

NLDPUNQZQQOYAI-KPOOZVEVSA-L

Smiles

[Na+].[Na+].c1(c(cc(cc1)NC(=O)CCl)\N=N\[C@@H]1C(=NN(C1=O)c1c(cc(c(c1)Cl)S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-]