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Substance Name: Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
RN: 75268-65-4
InChIKey: PNWNICPUDRQZQK-ZIJRHPRESA-L

Molecular Formula

  • C24-H21-Cl-F-N9-O9-S2.2Na

Molecular Weight

  • 742.031
 
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Names and Synonyms

Synonyms

  • 2-((2-Chloro-5-sulfophenyl)amino)-4-fluoro-6-((3-((1-ethyl-3-carbamoyl-4-methyl-6-hydroxy-1,2-dihydro-2-oxo-5-pyrimidinyl)azo)-4-sulfophenyl)amino)-1,3,5-triazine,disodium salt
  • EINECS 278-154-5

Systematic Names

  • Benzenesulfonic acid, 2-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)-4-((4-((2-chloro-5-sulphonatophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 75268-65-4

System Generated Number

  • 0075268654

Molecular Formulas

Molecular Formula

  • C24-H21-Cl-F-N9-O9-S2.2Na

Molecular Formula Fragments

  • C24-H21-Cl-F-N9-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H21ClFN9O9S2.2Na/c1-3-35-20(37)17(19(27)36)10(2)18(21(35)38)34-33-15-8-11(4-7-16(15)46(42,43)44)28-23-30-22(26)31-24(32-23)29-14-9-12(45(39,40)41)5-6-13(14)25;;/h4-9,38H,3H2,1-2H3,(H2,27,36)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;/q;2*+1/p-2/b34-33+;;

InChIKey

PNWNICPUDRQZQK-ZIJRHPRESA-L

Smiles

[Na+].[Na+].c1(c(cc(cc1)Nc1nc(nc(n1)Nc1c(ccc(c1)S(=O)(=O)[O-])Cl)F)\N=N\c1c(n(c(c(c1C)C(=O)N)=O)CC)O)S(=O)(=O)[O-]