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Substance Name: Cuprate(4-), (5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(2-sulfophenyl)methyl)diazenyl-kappaN1)benzoato(6-)-kappaO)-, sodium (1:4)
RN: 71735-62-1
InChIKey: WHIPYJNQQXJODS-IALQXBNOSA-I

Molecular Formula

  • C24-H10-Cl-Cu-F2-N7-O12-S3.4Na

Molecular Weight

  • 913.533
 
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Names and Synonyms

Synonym

  • EINECS 275-960-9

Systematic Names

  • Cuprate(4-), (5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-((((2-(hydroxy-kappaO)-3,5-disulfophenyl)azo-kappaN2)(2-sulfophenyl)methyl)azo-kappaN1)benzoato(6-)-kappaO)-, tetrasodium
  • Cuprate(4-), (5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-((((2-hydroxy-3,5-disulfophenyl)azo)(2-sulfophenyl)methyl)azo)benzoato(6-))-, tetrasodium
  • Cuprate(4-), (5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(2-sulfophenyl)methyl)diazenyl-kappaN1)benzoato(6-)-kappaO)-, sodium (1:4)
  • Tetrasodium (5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-((((2-hydroxy-3,5-disulphophenyl)azo)(2-sulphophenyl)methyl)azo)benzoato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 71735-62-1

System Generated Number

  • 0071735621

Molecular Formulas

Molecular Formula

  • C24-H10-Cl-Cu-F2-N7-O12-S3.4Na

Molecular Formula Fragments

  • C24-H10-Cl-Cu-F2-N7-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H15ClF2N7O12S3.Cu.4Na/c25-18-20(26)29-24(27)30-22(18)28-10-5-6-14(13(7-10)23(36)37)31-33-21(12-3-1-2-4-16(12)48(41,42)43)34-32-15-8-11(47(38,39)40)9-17(19(15)35)49(44,45)46;;;;;/h1-9,35H,(H,36,37)(H,28,29,30)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;;/q;5*+1/p-5/b33-31+,34-32+;;;;;

InChIKey

WHIPYJNQQXJODS-IALQXBNOSA-I

Smiles

c1ccc2c(c1)C34/N=N/c5ccc(cc5C(=O)O[Cu-4]367(Oc8c(cc(cc8S(=O)(=O)O6)S(=O)(=O)O7)N=N4)OS2(=O)=O)Nc9c(c(nc(n9)F)F)Cl.[Na+].[Na+].[Na+].[Na+]