Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentasodium (3-((4-((5-hydroxy-4-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)-o-tolyl)azo)-7-sulpho-1-naphthyl)azo)naphthalene-1,5-disulphonato(7-))cuprate(5-)
RN: 82457-12-3
InChIKey: UGLCFACDRLCRGY-RHEINLHGSA-G

Molecular Formula

  • C43-H24-Cu-N7-O17-S5.5Na

Molecular Weight

  • 1249.5206
 
* 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 279-954-7

Systematic Name

  • Pentasodium (3-((4-((5-hydroxy-4-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)-o-tolyl)azo)-7-sulpho-1-naphthyl)azo)naphthalene-1,5-disulphonato(7-))cuprate(5-)

Registry Numbers

CAS Registry Number

  • 82457-12-3

System Generated Number

  • 0082457123

Molecular Formulas

Molecular Formula

  • C43-H24-Cu-N7-O17-S5.5Na

Molecular Formula Fragments

  • C43-H24-Cu-N7-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H31N7O17S5.Cu.5Na/c1-22-14-37(49-50-42-41(72(65,66)67)15-23-8-9-25(17-31(23)43(42)52)44-24-4-2-5-27(16-24)68(53,54)55)38(51)21-36(22)48-47-34-12-13-35(32-20-28(69(56,57)58)10-11-29(32)34)46-45-26-18-33-30(40(19-26)71(62,63)64)6-3-7-39(33)70(59,60)61;;;;;;/h2-21,44,51-52H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;+2;5*+1/p-7/b46-45-,48-47+,50-49+;;;;;;

InChIKey

UGLCFACDRLCRGY-RHEINLHGSA-G

Smiles

Cc1cc\2c3cc1/N=N/c4ccc/5c6c4ccc(c6)S(=O)(=O)O[Cu-5]789(O3)(Oc1c3cc(ccc3cc(c1/N=N2)S(=O)(=O)O7)Nc1cccc(c1)S(=O)(=O)O8)OS(=O)(=O)c1cccc2c1cc(cc2S(=O)(=O)O9)/N=N5.[Na+].[Na+].[Na+].[Na+].[Na+]