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Substance Name: Cuprate(4-), (2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(3-(2-(4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)phenyl)methyl)diazenyl-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
RN: 71735-63-2
InChIKey: AKDMEXZPMVJFAU-HDKUTVLQSA-I

Molecular Formula

  • C30-H14-Cl3-Cu-N9-O12-S3.4Na

Molecular Weight

  • 1050.55
 
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Names and Synonyms

Synonym

  • EINECS 275-961-4

Systematic Names

  • Cuprate(4-), (2-((((2-(hydroxy-kappaO)-3,5-disulfophenyl)azo-kappaN2)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, tetrasodium
  • Cuprate(4-), (2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(3-(2-(4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)phenyl)methyl)diazenyl-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
  • Tetrasodium (2-((((2-hydroxy-3,5-disulphophenyl)azo)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo)-5-sulphobenzoato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 71735-63-2

System Generated Number

  • 0071735632

Molecular Formulas

Molecular Formula

  • C30-H14-Cl3-Cu-N9-O12-S3.4Na

Molecular Formula Fragments

  • C30-H14-Cl3-Cu-N9-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H19Cl3N9O12S3.Cu.4Na/c31-24-26(32)35-30(33)36-28(24)34-15-4-2-6-17(10-15)38-37-16-5-1-3-14(9-16)27(41-39-21-8-7-18(55(46,47)48)11-20(21)29(44)45)42-40-22-12-19(56(49,50)51)13-23(25(22)43)57(52,53)54;;;;;/h1-13,43H,(H,44,45)(H,34,35,36)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;/q-1;+2;4*+1/p-5/b38-37+,41-39+,42-40+;;;;;

InChIKey

AKDMEXZPMVJFAU-HDKUTVLQSA-I

Smiles

[Cu+2].S(=O)(=O)(c1ccc(\N=N\[C@@-](c2cccc(\N=N\c3cccc(c3)Nc3c(c(nc(n3)Cl)Cl)Cl)c2)\N=N\c2cc(S([O-])(=O)=O)cc(S([O-])(=O)=O)c2[O-])c(C([O-])=O)c1)[O-].[Na+].[Na+].[Na+].[Na+]