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Substance Name: 3-((5-(((5-Chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulpho-2-naphthyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, potassium sodium salt
RN: 83417-31-6
InChIKey: LIYJKRZBXWZPMW-BZAYTVMESA-N

Molecular Formula

  • C25-H16-Cl-F2-N5-O10-S3.x-K.x-Na

Molecular Weight

  • 778.1614
 
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Names and Synonyms

Synonym

  • EINECS 280-446-2

Systematic Name

  • 3-((5-(((5-Chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulpho-2-naphthyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83417-31-6

System Generated Number

  • 0083417316

Molecular Formulas

Molecular Formula

  • C25-H16-Cl-F2-N5-O10-S3.x-K.x-Na

Molecular Formula Fragments

  • C25-H16-Cl-F2-N5-O10-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C25H16ClF2N5O10S3.K.Na/c26-19-23(27)30-25(28)31-24(19)29-10-11-2-1-3-16-14(11)6-7-17(22(16)46(41,42)43)32-33-20-18(45(38,39)40)9-12-8-13(44(35,36)37)4-5-15(12)21(20)34;;/h1-9,34H,10H2,(H,29,30,31)(H,35,36,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/b33-32+;;

InChIKey

LIYJKRZBXWZPMW-BZAYTVMESA-N

Smiles

c1cc(c2ccc(c(c2c1)S(=O)(=O)O)/N=N/c3c(cc4cc(ccc4c3O)S(=O)(=O)O)S(=O)(=O)O)CNc5c(c(nc(n5)F)F)Cl.[Na+].[K+]