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Substance Name: 7-((4-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid, potassium sodium salt
RN: 83400-25-3
InChIKey: AYSNRIBRIMGEIS-JZYARHMISA-N

Molecular Formula

  • C21-H15-Cl-F-N5-O9-S3.x-K.x-Na

Molecular Weight

  • 694.1125
 
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Names and Synonyms

Synonym

  • EINECS 280-442-0

Systematic Name

  • 7-((4-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83400-25-3

System Generated Number

  • 0083400253

Molecular Formulas

Molecular Formula

  • C21-H15-Cl-F-N5-O9-S3.x-K.x-Na

Molecular Formula Fragments

  • C21-H15-Cl-F-N5-O9-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C21H15ClFN5O9S3.K.Na/c1-10-19(22)20(26-21(23)24-10)25-11-2-4-12(5-3-11)27-28-13-6-15-16(17(7-13)39(32,33)34)8-14(38(29,30)31)9-18(15)40(35,36)37;;/h2-9H,1H3,(H,24,25,26)(H,29,30,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/b28-27+;;

InChIKey

AYSNRIBRIMGEIS-JZYARHMISA-N

Smiles

Cc1c(c(nc(n1)F)Nc2ccc(cc2)/N=N/c3cc4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)c(c3)S(=O)(=O)O)Cl.[Na+].[K+]