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Substance Name: 5-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((1-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt
RN: 83400-02-6
InChIKey: WTFQLGMMWQIOBV-YIWBEPSUSA-K

Molecular Formula

  • C25-H17-Cl-F-N5-O10-S3.x-Na

Molecular Weight

  • 764.0296
 
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Names and Synonyms

Synonym

  • EINECS 280-416-9

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((1-sulfo-2-naphthalenyl)azo)-, sodium salt
  • 5-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((1-sulpho-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83400-02-6

System Generated Number

  • 0083400026

Molecular Formulas

Molecular Formula

  • C25-H17-Cl-F-N5-O10-S3.x-Na

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

Cc1c(c(nc(n1)F)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)[O-])/N=N/c4ccc5ccccc5c4S(=O)(=O)[O-])O)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]