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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)diazenyl)-6-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:4)
RN: 75198-91-3
InChIKey: NACGLHSKYABODE-NJEPHUMGSA-J

Molecular Formula

  • C27-H20-Cl-F-N8-O13-S4.4Na

Molecular Weight

  • 935.1414
 
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Names and Synonyms

Synonym

  • 4-Amino-3-((4-((5-chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)phenyl)azo)-5-hydroxy-6-((2,5-disulfophenyl)azo)-2,7-naphthalenedisulfonic acid, tetrasodium salt

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)-6-((2,5-disulfophenyl)azo)-5-hydroxy-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)diazenyl)-6-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 75198-91-3

System Generated Number

  • 0075198913

Molecular Formulas

Molecular Formula

  • C27-H20-Cl-F-N8-O13-S4.4Na

Molecular Formula Fragments

  • C27-H20-Cl-F-N8-O13-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20ClFN8O13S4.4Na/c1-11-21(28)26(33-27(29)31-11)32-13-2-4-14(5-3-13)34-36-23-18(53(45,46)47)8-12-9-19(54(48,49)50)24(25(38)20(12)22(23)30)37-35-16-10-15(51(39,40)41)6-7-17(16)52(42,43)44;;;;/h2-10,38H,30H2,1H3,(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

NACGLHSKYABODE-NJEPHUMGSA-J

Smiles

Cc1c(c(nc(n1)F)Nc2ccc(cc2)/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-])Cl.[Na+].[Na+].[Na+].[Na+]