Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cuprate(4-), (2-(2-(4-(2-(2-(hydroxy-kappaO)-6-hydroxy-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenyl)diazenyl)-2-sulfophenyl)ethenyl)-5-(2-(4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)benzenesulfonato(6-))-, sodium (1:4)
RN: 68966-90-5
InChIKey: ICHHWMRNZXWRBP-WMUYYQMNSA-G

Molecular Formula

  • C38-H22-Cu-N8-O15-S4.4Na

Molecular Weight

  • 1193.46
 
* 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 273-456-3

Systematic Names

  • Cuprate(4-), (2-(2-(4-((2-(hydroxy-kappaO)-6-hydroxy-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN2)phenyl)azo)-2-sulfophenyl)ethenyl)-5-((4-((4-sulfophenyl)azo)phenyl)azo)benzenesulfonato(6-))-, tetrasodium
  • Cuprate(4-), (2-(2-(4-(2-(2-(hydroxy-kappaO)-6-hydroxy-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenyl)diazenyl)-2-sulfophenyl)ethenyl)-5-(2-(4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)benzenesulfonato(6-))-, sodium (1:4)
  • Tetrasodium (2-(2-(4-((2,6-dihydroxy-3-((2-hydroxy-5-sulphophenyl)azo)phenyl)azo)-2-sulphophenyl)vinyl)-5-((4-((4-sulphophenyl)azo)phenyl)azo)benzenesulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 68966-90-5

System Generated Number

  • 0068966905

Molecular Formulas

Molecular Formula

  • C38-H22-Cu-N8-O15-S4.4Na

Molecular Formula Fragments

  • C38-H22-Cu-N8-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H28N8O18S5.Cu.4Na/c47-31-15-12-26(65(50,51)52)20-30(31)45-44-29-14-16-32(48)37(38(29)49)46-41-24-10-8-22(35(18-24)68(59,60)61)6-5-21-7-9-23(17-34(21)67(56,57)58)39-40-25-11-13-28(36(19-25)69(62,63)64)43-42-27-3-1-2-4-33(27)66(53,54)55;;;;;/h1-20,47-49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;+2;4*+1/p-7/b6-5+,40-39+,43-42+,45-44+,46-41+;;;;;

InChIKey

ICHHWMRNZXWRBP-WMUYYQMNSA-G

Smiles

[Na+].[Cu+2].N(\c1ccc(\N=N\c2cc(c(cc2)\C=C\c2ccc(\N=N\c3c(c(ccc3O)\N=N\c3c([O-])ccc(S([O-])(=O)=O)c3)[O-])cc2S([O-])(=O)=O)S([O-])(=O)=O)cc1S(=O)([O-])=O)=N\c1ccccc1S([O-])(=O)=O.[Na+].[Na+].[Na+]