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Substance Name: Trisodium (2-(4-((3-hydroxy-4-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)phenyl)azo)phenyl)-6-methyl-7-benzothiazolesulphonato(5-))cuprate(3-)
RN: 84145-48-2
InChIKey: MQTNSOLSKVNQJS-YYZYFHJNSA-I

Molecular Formula

  • C36-H21-Cu-N6-O11-S4.3Na

Molecular Weight

  • 974.3729
 
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Names and Synonyms

Synonym

  • EINECS 282-275-9

Systematic Names

  • Cuprate(3-), (2-(4-((3-hydroxy-4-((1-hydroxy-3-sulfo-7-((3-sulfophenyl)amino)-2-naphthalenyl)azo)phenyl)azo)phenyl)-6-methyl-7-benzothiazolesulfonato(5-))-, trisodium
  • Trisodium (2-(4-((3-hydroxy-4-((1-hydroxy-3-sulpho-7-(3-sulphoanilino)-2-naphthyl)azo)phenyl)azo)phenyl)-6-methyl-7-benzothiazolesulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 84145-48-2

System Generated Number

  • 0084145482

Molecular Formulas

Molecular Formula

  • C36-H21-Cu-N6-O11-S4.3Na

Molecular Formula Fragments

  • C36-H21-Cu-N6-O11-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H26N6O11S4.Cu.3Na/c1-19-5-13-29-34(35(19)57(51,52)53)54-36(38-29)20-6-9-22(10-7-20)39-40-25-12-14-28(30(43)18-25)41-42-32-31(56(48,49)50)15-21-8-11-24(17-27(21)33(32)44)37-23-3-2-4-26(16-23)55(45,46)47;;;;/h2-18,37,43-44H,1H3,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;/q;+2;3*+1/p-5/b40-39+,42-41+;;;;

InChIKey

MQTNSOLSKVNQJS-YYZYFHJNSA-I

Smiles

Cc1ccc2c3c1S(=O)(=O)O[Cu-3]456Oc7cc(ccc7/N=N/c8c(cc9ccc(cc9c8O4)Nc1cccc(c1)S(=O)(=O)O5)S(=O)(=O)O6)/N=N/c1ccc(cc1)-c(n2)s3.[Na+].[Na+].[Na+]