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Substance Name: 2-Naphthalenesulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)
RN: 68959-17-1
InChIKey: HJORILXJGREZJU-NTDCDQSISA-L

Molecular Formula

  • C21-H14-Cl-F2-N5-O8-S2.2Na

Molecular Weight

  • 645.9138
 
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Names and Synonyms

Synonyms

  • 2-(5-Chloro-2,4-difluoro-6-pyrimidylamino)-6-(4-methoxy-2-sulfophenylazo)-5-hydroxy-7-naphthalenesulfonic acid, disodium salt
  • 7-((5-Chloro-2,4-difluoro-6-pyrimidyl)amino)-3-((4-methoxy-2-sulfophenyl)azo)-4-hydroxy-2-naphthalenesulfonic acid, disodium salt
  • 7-((5-Chloro-2,6-difluoropyrimidin-4-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)naphthalene-2-sulfonic acid, disodium salt
  • EINECS 273-401-3

Systematic Names

  • 2-Naphthalenesulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-, disodium salt
  • 2-Naphthalenesulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 7-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphonatophenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 68959-17-1

Other Registry Numbers

  • 61969-31-1
  • 62996-78-5

System Generated Number

  • 0068959171

Molecular Formulas

Molecular Formula

  • C21-H14-Cl-F2-N5-O8-S2.2Na

Molecular Formula Fragments

  • C21-H14-Cl-F2-N5-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H14ClF2N5O8S2.2Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;/h2-8,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b29-28+;;

InChIKey

HJORILXJGREZJU-NTDCDQSISA-L

Smiles

COc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c2c(cc3cc(ccc3c2O)Nc4c(c(nc(n4)F)F)Cl)S(=O)(=O)[O-].[Na+].[Na+]