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Substance Name: Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 72379-41-0
InChIKey: HQDXRVBGELSFMO-NFOZGECASA-L

Molecular Formula

  • C20-H12-Cl3-F2-N7-O7-S2.2Na

Molecular Weight

  • 714.808
 
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Names and Synonyms

Synonym

  • EINECS 276-618-1

Systematic Names

  • Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
  • Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
  • Disodium 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 72379-41-0

System Generated Number

  • 0072379410

Molecular Formulas

Molecular Formula

  • C20-H12-Cl3-F2-N7-O7-S2.2Na

Molecular Formula Fragments

  • C20-H12-Cl3-F2-N7-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H12Cl3F2N7O7S2.2Na/c1-7-16(19(33)32(31-7)12-5-10(22)14(6-9(12)21)41(37,38)39)30-29-11-4-8(2-3-13(11)40(34,35)36)26-18-15(23)17(24)27-20(25)28-18;;/h2-6,16H,1H3,(H,26,27,28)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b30-29+;;

InChIKey

HQDXRVBGELSFMO-NFOZGECASA-L

Smiles

[Na+].[Na+].c1(c(cc(c(c1)Cl)N1N=C([C@@H](C1=O)\N=N\c1c(ccc(c1)Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])C)Cl)S(=O)(=O)[O-]