Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Trisodium (2-((alpha-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulphophenyl)azo)benzyl)azo)-5-sulphobenzoato(5-))cuprate(3-)
RN: 81611-05-4
InChIKey: LFLGPUVAUGDQBJ-IYKLDLMTSA-J

Molecular Formula

  • C24-H11-Cl-Cu-F2-N7-O9-S2.3Na

Molecular Weight

  • 811.4879
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 279-785-9

Systematic Names

  • Cuprate(3-), (2-((((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-5-sulfobenzoato(5-))-, trisodium
  • Trisodium (2-((alpha-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulphophenyl)azo)benzyl)azo)-5-sulphobenzoato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 81611-05-4

System Generated Number

  • 0081611054

Molecular Formulas

Molecular Formula

  • C24-H11-Cl-Cu-F2-N7-O9-S2.3Na

Molecular Formula Fragments

  • C24-H11-Cl-Cu-F2-N7-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H15ClF2N7O9S2.Cu.3Na/c25-18-20(26)29-24(27)30-22(18)28-16-9-13(45(41,42)43)10-17(19(16)35)32-34-21(11-4-2-1-3-5-11)33-31-15-7-6-12(44(38,39)40)8-14(15)23(36)37;;;;/h1-10,35H,(H,36,37)(H,28,29,30)(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4/b33-31+,34-32+;;;;

InChIKey

LFLGPUVAUGDQBJ-IYKLDLMTSA-J

Smiles

c1ccc(cc1)C23/N=N/c4ccc5cc4C(=O)O[Cu-3]26(Oc7c(cc(cc7Nc8c(c(nc(n8)F)F)Cl)S(=O)(=O)O6)N=N3)OS5(=O)=O.[Na+].[Na+].[Na+]