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Substance Name: Trisodium (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-3,5-disulphophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)salicylato(5-))cuprate(3-)
RN: 93805-30-2
InChIKey: RXNDNPSJRUYOGW-CQTJZVBWSA-I

Molecular Formula

  • C32-H17-Cu-N8-O12-S2.3Na

Molecular Weight

  • 902.1783
 
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Names and Synonyms

Synonym

  • EINECS 298-514-5

Systematic Name

  • Trisodium (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-3,5-disulphophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)salicylato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 93805-30-2

System Generated Number

  • 0093805302

Molecular Formulas

Molecular Formula

  • C32-H17-Cu-N8-O12-S2.3Na

Molecular Formula Fragments

  • C32-H17-Cu-N8-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H22N8O12S2.Cu.3Na/c41-25-9-6-17(11-20(25)32(45)46)36-35-16-3-1-15(2-4-16)31-33-21-7-5-18(12-23(21)34-31)37-40-28-26(42)10-8-22(30(28)44)38-39-24-13-19(53(47,48)49)14-27(29(24)43)54(50,51)52;;;;/h1-14,41-44H,(H,33,34)(H,45,46)(H,47,48,49)(H,50,51,52);;;;/q;+2;3*+1/p-5/b36-35+,39-38+,40-37+;;;;

InChIKey

RXNDNPSJRUYOGW-CQTJZVBWSA-I

Smiles

[Na+].[Na+].[Na+].Oc1ccc2cc1C(=O)O[Cu-3]345Oc6c(ccc(O)c6N=Nc7ccc8[nH]c(nc8c7)c9ccc(cc9)N=N2)N=Nc%10cc(cc(c%10O3)S(=O)(=O)O4)S(=O)(=O)O5