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Substance Name: 1,4-Benzenedisulfonic acid, 2-(4-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
RN: 72139-22-1
InChIKey: NGHBKVPQCGDWEU-JZYARHMISA-L

Molecular Formula

  • C20-H14-Cl-F2-N7-O7-S2.2Na

Molecular Weight

  • 645.918
 
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Names and Synonyms

Synonym

  • EINECS 276-378-8

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2-(4-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt
  • 1,4-Benzenedisulfonic acid, 2-(4-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
  • Disodium 2-(4-((4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 72139-22-1

System Generated Number

  • 0072139221

Molecular Formulas

Molecular Formula

  • C20-H14-Cl-F2-N7-O7-S2.2Na

Molecular Formula Fragments

  • C20-H14-Cl-F2-N7-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H14ClF2N7O7S2.2Na/c1-9-16(19(31)30(29-9)13-8-12(38(32,33)34)6-7-14(13)39(35,36)37)28-27-11-4-2-10(3-5-11)24-18-15(21)17(22)25-20(23)26-18;;/h2-8,16H,1H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b28-27+;;

InChIKey

NGHBKVPQCGDWEU-JZYARHMISA-L

Smiles

[Na+].[Na+].c1(c(cc(cc1)S(=O)(=O)[O-])N1N=C([C@@H](C1=O)\N=N\c1ccc(cc1)Nc1nc(nc(c1Cl)F)F)C)S(=O)(=O)[O-]