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Substance Name: Tetrasodium (8-hydroxy-7-((2-hydroxy-5-methyl-4-((3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)phenyl)azo)naphthalene-1,3,6-trisulphonato(6-))cuprate(4-)
RN: 34870-85-4
InChIKey: PBPOKYPXDWSFSH-FTZDSZNDSA-H

Molecular Formula

  • C25-H16-Cu-N4-O17-S5.4Na

Molecular Weight

  • 960.2484
 
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Names and Synonyms

Synonym

  • EINECS 252-261-7

Systematic Name

  • Tetrasodium (8-hydroxy-7-((2-hydroxy-5-methyl-4-((3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)phenyl)azo)naphthalene-1,3,6-trisulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 34870-85-4

System Generated Number

  • 0034870854

Molecular Formulas

Molecular Formula

  • C25-H16-Cu-N4-O17-S5.4Na

Molecular Formula Fragments

  • C25-H16-Cu-N4-O17-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H22N4O17S5.Cu.4Na/c1-13-7-19(20(30)12-18(13)27-26-15-3-2-4-16(10-15)47(32,33)6-5-46-51(43,44)45)28-29-24-22(50(40,41)42)9-14-8-17(48(34,35)36)11-21(49(37,38)39)23(14)25(24)31;;;;;/h2-4,7-12,30-31H,5-6H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;;/q;+2;4*+1/p-6/b27-26+,29-28+;;;;;

InChIKey

PBPOKYPXDWSFSH-FTZDSZNDSA-H

Smiles

Cc1cc\2c3cc1/N=N/c4cccc(c4)S(=O)(=O)CCOS(=O)(=O)O[Cu-4]567(O3)Oc8c9c(cc(cc9S(=O)(=O)O5)S(=O)(=O)O6)cc(c8/N=N2)S(=O)(=O)O7.[Na+].[Na+].[Na+].[Na+]