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Substance Name: Cuprate(4-), (mu-((3,3'-methylenebis(6-(2-(5-(2-(2,4-disulfophenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)benzoato-kappaO))(8-)))di-, sodium (1:4)
RN: 102424-25-9
InChIKey: WKUIGUCXKLBWAZ-HVFVTMQFSA-F

Molecular Formula

  • C39-H20-Cu2-N8-O20-S4.4Na

Molecular Weight

  • 1267.94
 
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Names and Synonyms

Synonym

  • Azo dye

Systematic Names

  • Cuprate(4-), (mu-((3,3'-methylenebis(6-((5-((2,4-disulfophenyl)azo)-2,4-dihydroxyphenyl)azo)benzoato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((3,3'-methylenebis(6-((5-((2,4-disulfophenyl)azo)-2-(hydroxy-kappaO)-4-hydroxyphenyl)azo-kappaN1)benzoato-kappaO))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((3,3'-methylenebis(6-(2-(5-(2-(2,4-disulfophenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)benzoato-kappaO))(8-)))di-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 102424-25-9

System Generated Number

  • 0102424259

Molecular Formulas

Molecular Formula

  • C39-H20-Cu2-N8-O20-S4.4Na

Molecular Formula Fragments

  • C39-H20-Cu2-N8-O20-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H28N8O20S4.2Cu.4Na/c48-32-16-34(50)30(46-42-26-7-3-20(68(56,57)58)12-36(26)70(62,63)64)14-28(32)44-40-24-5-1-18(10-22(24)38(52)53)9-19-2-6-25(23(11-19)39(54)55)41-45-29-15-31(35(51)17-33(29)49)47-43-27-8-4-21(69(59,60)61)13-37(27)71(65,66)67;;;;;;/h1-8,10-17,48-51H,9H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8/b44-40+,45-41+,46-42+,47-43+;;;;;;

InChIKey

WKUIGUCXKLBWAZ-HVFVTMQFSA-F

Smiles

[Cu+2].[Na+].N(=N\c1cc(c(cc1[O-])O)\N=N\c1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O)\c1c(cc(cc1)Cc1cc(c(\N=N\c2c([O-])cc(c(c2)\N=N\c2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)O)cc1)C(=O)[O-])C(=O)[O-].[Cu+2].[Na+].[Na+].[Na+]