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Substance Name: 2-Naphthalenesulfonic acid, 6-amino-3-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)
RN: 72379-43-2
InChIKey: JLUPQARFMIVFGM-NTDCDQSISA-L

Molecular Formula

  • C20-H13-Cl-F2-N6-O7-S2.2Na

Molecular Weight

  • 630.903
 
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Names and Synonyms

Synonyms

  • 6-Amino-3-((4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulfophenyl)azo)-4-hydroxynaphthalene-2-sulfonic acid, disodium salt
  • EINECS 276-620-2

Systematic Names

  • 2-Naphthalenesulfonic acid, 6-amino-3-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4-hydroxy-, disodium salt
  • 2-Naphthalenesulfonic acid, 6-amino-3-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)
  • Disodium 6-amino-3-((4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 72379-43-2

System Generated Number

  • 0072379432

Molecular Formulas

Molecular Formula

  • C20-H13-Cl-F2-N6-O7-S2.2Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

JLUPQARFMIVFGM-NTDCDQSISA-L

Smiles

[Na+].[Na+].c1c(c(c(c2cc(ccc12)N)O)\N=N\c1c(cc(cc1)Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])S(=O)(=O)[O-]