Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cuprate(3-), (2-(2-(4-(2-(6-((4-amino-6-fluoro-1,3,5-triazin-2-yl)methylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-2-methylphenyl)diazenyl)-1,4-benzenedisulfonato(5-))-, sodium (1:3)
RN: 70529-02-1
InChIKey: XGPGQDLOHSLVIU-YNCRMFOQSA-I

Molecular Formula

  • C27-H17-Cu-F-N9-O11-S3.3Na

Molecular Weight

  • 891.1953
 
* 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 274-662-6

Systematic Names

  • Cuprate(3-), (2-((4-((6-((4-amino-6-fluoro-1,3,5-triazin-2-yl)methylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)azo-kappaN1)-5-(hydroxy-kappaO)-2-methylphenyl)azo)-1,4-benzenedisulfonato(5-))-, trisodium
  • Cuprate(3-), (2-((4-((6-((4-amino-6-fluoro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-hydroxy-2-methylphenyl)azo)-1,4-benzenedisulfonato(5-))-, trisodium
  • Cuprate(3-), (2-(2-(4-(2-(6-((4-amino-6-fluoro-1,3,5-triazin-2-yl)methylamino)-1-(hydroxy-kappaO)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-2-methylphenyl)diazenyl)-1,4-benzenedisulfonato(5-))-, sodium (1:3)
  • Trisodium (2-((4-((6-((4-amino-6-fluoro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-5-hydroxy-o-tolyl)azo)benzene-1,4-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 70529-02-1

System Generated Number

  • 0070529021

Molecular Formulas

Molecular Formula

  • C27-H17-Cu-F-N9-O11-S3.3Na

Molecular Formula Fragments

  • C27-H17-Cu-F-N9-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H22FN9O11S3.Cu.3Na/c1-12-7-18(20(38)11-17(12)33-35-19-10-15(49(40,41)42)4-6-21(19)50(43,44)45)34-36-23-22(51(46,47)48)9-13-8-14(3-5-16(13)24(23)39)37(2)27-31-25(28)30-26(29)32-27;;;;/h3-11,38-39H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,31,32);;;;/q;+2;3*+1/p-5/b35-33+,36-34+;;;;

InChIKey

XGPGQDLOHSLVIU-YNCRMFOQSA-I

Smiles

Cc1cc\2c3cc1/N=N/c4cc5ccc4S(=O)(=O)O[Cu-3]6(O3)(Oc7c8ccc(cc8cc(c7/N=N2)S(=O)(=O)O6)N(C)c9nc(nc(n9)F)N)OS5(=O)=O.[Na+].[Na+].[Na+]