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Substance Name: EINECS 273-884-0
RN: 69121-24-0
InChIKey: CXTGKRKUENFNDN-JSQOADTBSA-I

Molecular Formula

  • C20-H7-Cl-Cu-F2-N5-O11-S3.3Na

Molecular Weight

  • 795.462
 
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Names and Synonyms

Results Name

  • EINECS 273-884-0

Synonyms

  • (3-((3-((5-Chloro-2,4-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulfophenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonato-O2,O4)copper, trisodium salt
  • EINECS 273-884-0

Systematic Names

  • Cuprate(3-), (3-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(5-))-, trisodium
  • Cuprate(3-), (3-(2-(3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(5-))-, sodium (1:3)
  • Trisodium (3-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 69121-24-0

System Generated Number

  • 0069121240

Molecular Formulas

Molecular Formula

  • C20-H7-Cl-Cu-F2-N5-O11-S3.3Na

Molecular Formula Fragments

  • C20-H7-Cl-Cu-F2-N5-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H12ClF2N5O11S3.Cu.3Na/c21-14-18(22)25-20(23)26-19(14)24-11-5-9(41(34,35)36)6-12(17(11)30)27-28-15-13(42(37,38)39)4-7-3-8(40(31,32)33)1-2-10(7)16(15)29;;;;/h1-6,29-30H,(H,24,25,26)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;+2;3*+1/p-5/b28-27+;;;;

InChIKey

CXTGKRKUENFNDN-JSQOADTBSA-I

Smiles

c1(S(=O)([O-])=O)cc2c(cc1)c(c(\N=N\c1c([O-])c(cc(S([O-])(=O)=O)c1)Nc1c(c(nc(n1)F)F)Cl)c(S([O-])(=O)=O)c2)[O-].[Cu+2].[Na+].[Na+].[Na+]