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Substance Name: Cuprate(2-), (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-2-hydroxybenzoato(4-))-, disodium
RN: 121029-09-2
InChIKey: NJMKRKHHXRHRLS-BXHQQMGZSA-J

Molecular Formula

  • C32-H18-Cu-N8-O9-S.2Na

Molecular Weight

  • 800.1332
 
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Names and Synonyms

  • Cuprate(2-), (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-2-hydroxybenzoato(4-))-, disodium

Registry Numbers

CAS Registry Number

  • 121029-09-2

System Generated Number

  • 0121029092

Molecular Formulas

Molecular Formula

  • C32-H18-Cu-N8-O9-S.2Na

Molecular Formula Fragments

  • C32-H18-Cu-N8-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H22N8O9S.Cu.2Na/c41-26-10-6-18(13-21(26)32(45)46)36-35-17-3-1-16(2-4-17)31-33-22-8-5-19(14-24(22)34-31)37-40-29-28(43)12-9-23(30(29)44)38-39-25-15-20(50(47,48)49)7-11-27(25)42;;;/h1-15,41-44H,(H,33,34)(H,45,46)(H,47,48,49);;;/q;+2;2*+1/p-4/b36-35+,39-38+,40-37-;;;

InChIKey

NJMKRKHHXRHRLS-BXHQQMGZSA-J

Smiles

[Na+].[Na+].Oc1ccc2cc1C(=O)O[Cu-2]34Oc5ccc(cc5N=Nc6ccc(O3)c(N=Nc7ccc8nc([nH]c8c7)c9ccc(cc9)N=N2)c6O)S(=O)(=O)O4