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Substance Name: 4-Amino-3-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-6-((2,5-disulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid, potassium sodium salt
RN: 83400-06-0
InChIKey: ZGODVEVDDPPMRI-NJEPHUMGSA-J

Molecular Formula

  • C26-H17-Cl-F2-N8-O13-S4.x-K.x-Na

Molecular Weight

  • 971.3207
 
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Names and Synonyms

Synonym

  • EINECS 280-421-6

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, potassium sodium salt
  • 4-Amino-3-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-6-((2,5-disulphophenyl)azo)-5-hydroxynaphthalene-2,7-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83400-06-0

System Generated Number

  • 0083400060

Molecular Formulas

Molecular Formula

  • C26-H17-Cl-F2-N8-O13-S4.x-K.x-Na

Molecular Formula Fragments

  • C26-H17-Cl-F2-N8-O13-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C26H17ClF2N8O13S4.2K.2Na/c27-19-24(28)32-26(29)33-25(19)31-11-1-3-12(4-2-11)34-36-21-16(53(45,46)47)7-10-8-17(54(48,49)50)22(23(38)18(10)20(21)30)37-35-14-9-13(51(39,40)41)5-6-15(14)52(42,43)44;;;;/h1-9,38H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4/b36-34+,37-35+;;;;

InChIKey

ZGODVEVDDPPMRI-NJEPHUMGSA-J

Smiles

c1cc(ccc1Nc2c(c(nc(n2)F)F)Cl)/N=N/c3c(cc4cc(c(c(c4c3N)O)/N=N/c5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[K+].[K+]