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Substance Name: EINECS 268-655-7
RN: 68132-91-2
InChIKey: RGLVUXLSIPLEJY-CNEQHJLYSA-H

Molecular Formula

  • C38-H20-Cl2-Cu-N14-O18-S5.H.5Na

Molecular Weight

  • 1371.4
 
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Names and Synonyms

Results Name

  • EINECS 268-655-7

Synonym

  • EINECS 268-655-7

Systematic Names

  • Cuprate(6-), (2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN2)phenylmethyl)azo-kappaN1)-5-sulfobenzoato(8-)-kappaO)-, pentasodium hydrogen, (SP-4-3)-
  • Cuprate(6-), (2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-5-sulfobenzoato(8-))-, pentasodium hydrogen, (SP-4-3)-
  • Cuprate(6-), (2-(2-((2-(3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-5-sulfobenzoato(8-)-kappaO)-, sodium hydrogen (1:5:1), (SP-4-3)-

Registry Numbers

CAS Registry Number

  • 68132-91-2

System Generated Number

  • 0068132912

Molecular Formulas

Molecular Formula

  • C38-H20-Cl2-Cu-N14-O18-S5.H.5Na

Molecular Formula Fragments

  • C38-H20-Cl2-Cu-N14-O18-S5
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C38H27Cl2N14O18S5.Cu.5Na/c39-33-45-35(41-18-7-4-8-19(11-18)73(58,59)60)49-36(46-33)42-24-15-29(77(70,71)72)25(16-28(24)76(67,68)69)43-37-47-34(40)48-38(50-37)44-26-13-21(75(64,65)66)14-27(30(26)55)52-54-31(17-5-2-1-3-6-17)53-51-23-10-9-20(74(61,62)63)12-22(23)32(56)57;;;;;;/h1-16,55H,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,41,42,45,46,49)(H2,43,44,47,48,50);;;;;;/q-1;+2;5*+1/p-6/b53-51+,54-52+;;;;;;

InChIKey

RGLVUXLSIPLEJY-CNEQHJLYSA-H

Smiles

[Cu+2].[Na+].S([O-])(=O)(=O)c1cc(c([O-])c(\N=N\[C@@-](\N=N\c2c(C([O-])=O)cc(cc2)S([O-])(=O)=O)c2ccccc2)c1)Nc1nc(nc(n1)Cl)Nc1cc(S([O-])(=O)=O)c(Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)[O-])cc1S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]