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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
RN: 75198-86-6
InChIKey: QEHSEVQPSIQYCM-YIWBEPSUSA-K

Molecular Formula

  • C25-H17-Cl-F-N5-O10-S3.3Na

Molecular Weight

  • 764.0296
 
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Names and Synonyms

Synonym

  • 7-((5-Chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)-4-hydroxy-3-((1,5-disulfonaphthalen-2-yl)azo)-2-naphthalenesulfonic acid, trisodium salt

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((6-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 75198-86-6

System Generated Number

  • 0075198866

Molecular Formulas

Molecular Formula

  • C25-H17-Cl-F-N5-O10-S3.3Na

Molecular Formula Fragments

  • C25-H17-Cl-F-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H17ClFN5O10S3.3Na/c1-11-20(26)24(30-25(27)28-11)29-13-5-6-14-12(9-13)10-19(44(37,38)39)21(22(14)33)32-31-17-8-7-15-16(23(17)45(40,41)42)3-2-4-18(15)43(34,35)36;;;/h2-10,33H,1H3,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

QEHSEVQPSIQYCM-YIWBEPSUSA-K

Smiles

Cc1c(c(nc(n1)F)Nc2ccc3c(c2)cc(c(c3O)/N=N/c4ccc5c(c4S(=O)(=O)[O-])cccc5S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]