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Substance Name: 1-Naphthalenesulfonic acid, 6-amino-5-(2-(5-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)diazenyl)-, sodium salt (1:3)
RN: 72152-51-3
InChIKey: CQZKCYGIFGZYRT-ZRCOUJIOSA-K

Molecular Formula

  • C26-H18-Cl-F2-N7-O9-S3.3Na

Molecular Weight

  • 808.062
 
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Names and Synonyms

Synonyms

  • 6-Amino-5-((5-((5-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)azo)naphthalene-1-sulfonic acid, trisodium salt
  • EINECS 276-405-3

Systematic Names

  • 1-Naphthalenesulfonic acid, 6-amino-5-((5-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)azo)-, trisodium salt
  • 1-Naphthalenesulfonic acid, 6-amino-5-(2-(5-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 6-amino-5-((5-((5-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulphonatophenyl)amino)-2-sulphonatophenyl)azo)naphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 72152-51-3

System Generated Number

  • 0072152513

Molecular Formulas

Molecular Formula

  • C26-H18-Cl-F2-N7-O9-S3.3Na

Molecular Formula Fragments

  • C26-H18-Cl-F2-N7-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18ClF2N7O9S3.3Na/c27-22-24(28)33-26(29)34-25(22)32-13-5-8-20(47(40,41)42)17(10-13)31-12-4-9-21(48(43,44)45)18(11-12)35-36-23-15-2-1-3-19(46(37,38)39)14(15)6-7-16(23)30;;;/h1-11,31H,30H2,(H,32,33,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b36-35+;;;

InChIKey

CQZKCYGIFGZYRT-ZRCOUJIOSA-K

Smiles

[Na+].[Na+].[Na+].c1(cccc2c(c(ccc12)N)\N=N\c1c(ccc(c1)Nc1c(ccc(c1)Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]