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Substance Name: EINECS 269-974-4
RN: 68398-35-6
InChIKey: MZYSRACMASWQRL-DNSVJSARSA-I

Molecular Formula

  • C26-H16-Cl2-Cu-N8-O13-S3.4Na

Molecular Weight

  • 971.0654
 
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Names and Synonyms

Results Name

  • EINECS 269-974-4

Synonym

  • EINECS 269-974-4

Systematic Names

  • Cuprate(4-), (2-((((3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN2)(2-chloro-5-sulfophenyl)methyl)azo-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, tetrasodium, (SP-4-3)-
  • Cuprate(4-), (2-(2-((2-(3-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)(2-chloro-5-sulfophenyl)methyl)diazenyl-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, sodium (1:4), (SP-4-3)-
  • Tetrasodium (2-((alpha-((3-((4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulphophenyl)azo)-2-chloro-5-sulphobenzyl)azo)-5-sulphobenzoato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 68398-35-6

System Generated Number

  • 0068398356

Molecular Formulas

Molecular Formula

  • C26-H16-Cl2-Cu-N8-O13-S3.4Na

Molecular Formula Fragments

  • C26-H16-Cl2-Cu-N8-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H21Cl2N8O13S3.Cu.4Na/c1-11(2)49-26-31-24(28)30-25(32-26)29-19-9-14(52(46,47)48)10-20(21(19)37)34-36-22(15-7-12(50(40,41)42)3-5-17(15)27)35-33-18-6-4-13(51(43,44)45)8-16(18)23(38)39;;;;;/h3-11,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,29,30,31,32);;;;;/q;5*+1/p-5/b35-33+,36-34+;;;;;

InChIKey

MZYSRACMASWQRL-DNSVJSARSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].CC(C)Oc1nc(Cl)nc(Nc2cc3cc4N=NC56N=Nc7ccc8cc7C(=O)O[Cu-4]5(Oc24)(OS8(=O)=O)(OS(=O)(=O)c9ccc(Cl)c6c9)OS3(=O)=O)n1