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Substance Name: 5-((4-((5-Chloro-2,6-difluoropyrimidin-4-yl)amino)benzoyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt
RN: 83399-98-8
InChIKey: DTJYROFTDDFIPE-ZRCOUJIOSA-K

Molecular Formula

  • C27-H17-Cl-F2-N6-O11-S3.x-Na

Molecular Weight

  • 837.0556
 
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Names and Synonyms

Synonym

  • EINECS 280-412-7

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, sodium salt
  • 5-((4-((5-Chloro-2,6-difluoropyrimidin-4-yl)amino)benzoyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-98-8

System Generated Number

  • 0083399988

Molecular Formulas

Molecular Formula

  • C27-H17-Cl-F2-N6-O11-S3.x-Na

Molecular Formula Fragments

  • C27-H17-Cl-F2-N6-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-35+;;;

InChIKey

DTJYROFTDDFIPE-ZRCOUJIOSA-K

Smiles

c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)c4ccc(cc4)Nc5c(c(nc(n5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]