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Substance Name: Cuprate(2-), (3-(2-(2-(hydroxy-kappaO)-4-hydroxy-5-(2-(4-nitrophenyl)diazenyl)-3-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(4-))-, sodium (1:2)
RN: 72479-32-4
InChIKey: DMNYTZVBJMPQSN-RUBRNKOCSA-J

Molecular Formula

  • C30-H16-Cu-N10-O15-S2.2Na

Molecular Weight

  • 914.17
 
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Names and Synonyms

Synonym

  • EINECS 276-679-4

Systematic Names

  • Cuprate(2-), (3-((2-(hydroxy-kappaO)-4-hydroxy-5-((4-nitrophenyl)azo)-3-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)phenyl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(4-))-, disodium
  • Cuprate(2-), (3-(2-(2-(hydroxy-kappaO)-4-hydroxy-5-(2-(4-nitrophenyl)diazenyl)-3-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(4-))-, sodium (1:2)
  • Disodium (3-((2,4-dihydroxy-5-((4-nitrophenyl)azo)-3-((4-(4-nitro-2-sulphoanilino)phenyl)azo)phenyl)azo)-4-hydroxy-5-nitrobenzenesulphonato(4-))cuprate(2-)

Registry Numbers

CAS Registry Number

  • 72479-32-4

System Generated Number

  • 0072479324

Molecular Formulas

Molecular Formula

  • C30-H16-Cu-N10-O15-S2.2Na

Molecular Formula Fragments

  • C30-H16-Cu-N10-O15-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H20N10O14S2.Cu.2Na/c41-29-24(35-33-17-3-1-16(2-4-17)31-23-10-9-21(39(45)46)13-28(23)56(52,53)54)11-19(34-32-18-5-7-20(8-6-18)38(43)44)12-25(29)36-37-26-14-22(55(49,50)51)15-27(30(26)42)40(47)48;;;/h1-15,31,41-42H,(H,49,50,51)(H,52,53,54);;;/q;+2;2*+1/p-4/b34-32+,35-33+,37-36+;;;

InChIKey

DMNYTZVBJMPQSN-RUBRNKOCSA-J

Smiles

[Cu+2].[Na+].c1([N+]([O-])=O)cc(c(Nc2ccc(\N=N\c3c([O-])c(\N=N\c4c([O-])c(cc(S([O-])(=O)=O)c4)[N+]([O-])=O)cc(c3)\N=N\c3ccc([N+]([O-])=O)cc3)cc2)cc1)S([O-])(=O)=O.[Na+]