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Substance Name: Trihydrogen (5-acetamido-4-hydroxy-3-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)
RN: 71396-24-2
InChIKey: VMCIDFWHQSEUKI-PGCQSHBKSA-L

Molecular Formula

  • C20-H14-Cu-N3-O15-S4.3H

Molecular Weight

  • 731.1703
 
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Names and Synonyms

Synonym

  • EINECS 275-362-8

Systematic Name

  • Trihydrogen (5-acetamido-4-hydroxy-3-((2-hydroxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 71396-24-2

System Generated Number

  • 0071396242

Molecular Formulas

Molecular Formula

  • C20-H14-Cu-N3-O15-S4.3H

Molecular Formula Fragments

  • C20-H14-Cu-N3-O15-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C20H19N3O15S4.Cu/c1-10(24)21-15-8-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-3-2-12(9-16(14)25)39(27,28)5-4-38-42(35,36)37;/h2-3,6-9,25-26H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);/q;+2/p-2/b23-22+;

InChIKey

VMCIDFWHQSEUKI-PGCQSHBKSA-L

Smiles

[H+].[H+].[H+].CC(=O)Nc1cc2cc3c1c4c\5c(c3)S(=O)(=O)O[Cu-3]6(O4)(Oc7cc(ccc7/N=N5)S(=O)(=O)CCOS(=O)(=O)O6)OS2(=O)=O