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Substance Name: EINECS 258-271-8
RN: 52953-36-3
InChIKey: WNZZQSPTGZBDHC-WITPWDSTSA-H

Molecular Formula

  • C38-H26-Cu-N10-O17-S4.4Na

Molecular Weight

  • 1178.45
 
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Names and Synonyms

Results Name

  • EINECS 258-271-8

Synonyms

  • Copper dye
  • EINECS 258-271-8

Systematic Names

  • Cuprate(4-), (4-hydroxy-7-((4-((2-hydroxyethyl)amino)-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((4-methoxy-2-sulfophenyl)azo)-2-naphthalenesulfonato(6-))-, tetrasodium
  • Cuprate(4-), (4-hydroxy-7-((4-((2-hydroxyethyl)amino)-6-((5-hydroxy-6-((2-hydroxy-5-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((4-methoxy-2-sulfophenyl)azo)-2-naphthalenesulfonato(6-))-, tetrasodium
  • Cuprate(4-), (4-hydroxy-7-(2-(4-((2-hydroxyethyl)amino)-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-2-naphthalenesulfonato(6-))-, sodium (1:1)

Registry Numbers

CAS Registry Number

  • 52953-36-3

Other Registry Number

  • 73507-20-7

System Generated Number

  • 0052953363

Molecular Formulas

Molecular Formula

  • C38-H26-Cu-N10-O17-S4.4Na

Molecular Formula Fragments

  • C38-H26-Cu-N10-O17-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H32N10O17S4.Cu.4Na/c1-65-22-4-8-26(29(16-22)67(56,57)58)45-47-32-30(68(59,60)61)14-18-12-20(2-6-24(18)34(32)51)40-37-42-36(39-10-11-49)43-38(44-37)41-21-3-7-25-19(13-21)15-31(69(62,63)64)33(35(25)52)48-46-27-17-23(66(53,54)55)5-9-28(27)50;;;;;/h2-9,12-17,49-52H,10-11H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H3,39,40,41,42,43,44);;;;;/q;+2;4*+1/p-6/b47-45+,48-46?;;;;;

InChIKey

WNZZQSPTGZBDHC-WITPWDSTSA-H

Smiles

c1(cc2c(ccc(c2)Nc2nc(nc(n2)NCCO)Nc2cc3cc(S(=O)(=O)[O-])c(c(c3cc2)[O-])\N=N/c2cc(S(=O)(=O)[O-])ccc2[O-])c(c1\N=N\c1c(S(=O)(=O)[O-])cc(cc1)OC)O)S([O-])(=O)=O.[Cu+2].[Na+].[Na+].[Na+].[Na+]