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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-6-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:5)
RN: 69140-63-2
InChIKey: WWJXUTBQUHLEPS-LTTWYDQJSA-I

Molecular Formula

  • C26-H17-Cl-F2-N8-O16-S5.5Na

Molecular Weight

  • 1041.15
 
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Names and Synonyms

Synonym

  • EINECS 273-894-5

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, pentasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-6-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:5)
  • Pentasodium 4-amino-3-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulphonatophenyl)azo)-6-((2,5-disulphonatophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 69140-63-2

System Generated Number

  • 0069140632

Molecular Formulas

Molecular Formula

  • C26-H17-Cl-F2-N8-O16-S5.5Na

Molecular Formula Fragments

  • C26-H17-Cl-F2-N8-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H17ClF2N8O16S5.5Na/c27-19-24(28)32-26(29)33-25(19)31-10-1-3-14(55(42,43)44)12(7-10)34-36-21-16(57(48,49)50)5-9-6-17(58(51,52)53)22(23(38)18(9)20(21)30)37-35-13-8-11(54(39,40)41)2-4-15(13)56(45,46)47;;;;;/h1-8,38H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5/b36-34+,37-35+;;;;;

InChIKey

WWJXUTBQUHLEPS-LTTWYDQJSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1c(c(c(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(ccc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])O)N)\N=N\c1c(ccc(c1)Nc1nc(nc(c1Cl)F)F)S(=O)(=O)[O-])S(=O)(=O)[O-]