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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-6-(2-(5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-3-(2-(2,5-disulfophenyl)diazenyl)-5-hydroxy-, sodium salt (1:?)
RN: 99129-24-5
InChIKey: XDWYYABPDFCEIE-OICCTZMOSA-I

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C27-H20-Cl-F-N8-O16-S5.x-Na

Molecular Weight

  • 1037.1865
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 99129-24-5

System Generated Number

  • 0099129245

Molecular Formulas

Molecular Formula

  • C27-H20-Cl-F-N8-O16-S5.x-Na

Molecular Formula Fragments

  • C27-H20-Cl-F-N8-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20ClFN8O16S5.5Na/c1-10-21(28)26(33-27(29)31-10)32-12-2-4-16(55(42,43)44)14(8-12)34-37-24-19(58(51,52)53)7-11-6-18(57(48,49)50)23(22(30)20(11)25(24)38)36-35-15-9-13(54(39,40)41)3-5-17(15)56(45,46)47;;;;;/h2-9,38H,30H2,1H3,(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/b36-35+,37-34+;;;;;

InChIKey

XDWYYABPDFCEIE-OICCTZMOSA-I

Smiles

c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1c(S(=O)(=O)[O-])ccc(Nc2nc(nc(c2Cl)C)F)c1)O)N)/N=N/c1c(S(=O)(=O)[O-])ccc(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+]