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Substance Name: Sodium 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)phenyl)azo)benzene-1,3-disulphonate
RN: 83763-54-6
InChIKey: OPEWQTRVPKAEJB-JGUILPGDSA-M

Molecular Formula

  • C17-H12-Cl-F2-N7-O7-S2.x-Na

Molecular Weight

  • 585.8869
 
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Names and Synonyms

Synonym

  • EINECS 280-741-6

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-, sodium salt
  • Sodium 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)phenyl)azo)benzene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 83763-54-6

System Generated Number

  • 0083763546

Molecular Formulas

Molecular Formula

  • C17-H12-Cl-F2-N7-O7-S2.x-Na

Molecular Formula Fragments

  • C17-H12-Cl-F2-N7-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H12ClF2N7O7S2.Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);/q;+1/p-1/b27-26+;

InChIKey

OPEWQTRVPKAEJB-JGUILPGDSA-M

Smiles

c1cc(c(cc1Nc2c(c(nc(n2)F)F)Cl)NC(=O)N)/N=N/c3ccc(cc3S(=O)(=O)O)S(=O)(=O)[O-].[Na+]