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Substance Name: EINECS 273-672-8
RN: 68992-20-1
InChIKey: FQSREJXRKLAOIQ-UGPCQCMPSA-H

Molecular Formula

  • C30-H16-Cl-Cu-N7-O14-S4.4Na

Molecular Weight

  • 1017.71
 
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Names and Synonyms

Results Name

  • EINECS 273-672-8

Synonym

  • EINECS 273-672-8

Systematic Names

  • Cuprate(4-), (3-((8-((4-chloro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)azo-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(6-))-, tetrasodium
  • Cuprate(4-), (3-(2-(8-((4-chloro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)-1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,5-naphthalenedisulfonato(6-))-, sodium (1:4)
  • Tetrasodium (3-((8-((4-chloro-6-(o-toluidino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)-4-hydroxynaphthalene-1,5-disulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 68992-20-1

System Generated Number

  • 0068992201

Molecular Formulas

Molecular Formula

  • C30-H16-Cl-Cu-N7-O14-S4.4Na

Molecular Formula Fragments

  • C30-H16-Cl-Cu-N7-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H22ClN7O14S4.Cu.4Na/c1-13-5-2-3-7-17(13)32-29-34-28(31)35-30(36-29)33-18-11-15(53(41,42)43)9-14-10-22(56(50,51)52)25(27(40)23(14)18)38-37-19-12-21(55(47,48)49)16-6-4-8-20(54(44,45)46)24(16)26(19)39;;;;;/h2-12,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H2,32,33,34,35,36);;;;;/q;+2;4*+1/p-6/b38-37+;;;;;

InChIKey

FQSREJXRKLAOIQ-UGPCQCMPSA-H

Smiles

c1(cc2cc(S([O-])(=O)=O)c(c(c2c(c1)Nc1nc(Cl)nc(Nc2c(cccc2)C)n1)[O-])\N=N\c1c(c2c(c(S([O-])(=O)=O)c1)cccc2S([O-])(=O)=O)[O-])S([O-])(=O)=O.[Cu+2].[Na+].[Na+].[Na+].[Na+]