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Substance Name: 6-Amino-5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt
RN: 83399-74-0
InChIKey: JYUFMCHEICKWNO-NTDCDQSISA-L

Molecular Formula

  • C20-H13-Cl-F2-N6-O7-S2.x-Na

Molecular Weight

  • 630.9029
 
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Names and Synonyms

Synonym

  • EINECS 280-387-2

Systematic Name

  • 6-Amino-5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-74-0

System Generated Number

  • 0083399740

Molecular Formulas

Molecular Formula

  • C20-H13-Cl-F2-N6-O7-S2.x-Na

Molecular Formula Fragments

  • C20-H13-Cl-F2-N6-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H13ClF2N6O7S2.2Na/c21-16-18(22)26-20(23)27-19(16)25-9-2-4-12(14(6-9)38(34,35)36)28-29-17-11(24)3-1-8-5-10(37(31,32)33)7-13(30)15(8)17;;/h1-7,30H,24H2,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b29-28+;;

InChIKey

JYUFMCHEICKWNO-NTDCDQSISA-L

Smiles

c1cc(c(c2c1cc(cc2O)S(=O)(=O)[O-])/N=N/c3ccc(cc3S(=O)(=O)[O-])Nc4c(c(nc(n4)F)F)Cl)N.[Na+].[Na+]