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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
RN: 75198-90-2
InChIKey: WTFQLGMMWQIOBV-YIWBEPSUSA-K

Molecular Formula

  • C25-H17-Cl-F-N5-O10-S3.3Na

Molecular Weight

  • 764.03
 
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Names and Synonyms

Synonym

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

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((1-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 75198-90-2

System Generated Number

  • 0075198902

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)29-17-10-14(43(34,35)36)8-13-9-18(44(37,38)39)21(22(33)19(13)17)32-31-16-7-6-12-4-2-3-5-15(12)23(16)45(40,41)42;;;/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

WTFQLGMMWQIOBV-YIWBEPSUSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(c1Cl)C)F)O)\N=N\c1c(c2ccccc2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]