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Substance Name: Cuprate(4-), (mu3-(7-(2-(6-(2-(4'-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(10-)))tri-, hydrogen (1:4)
RN: 71735-54-1
InChIKey: QTIFPSUVFHSYCJ-FZLNVQBRSA-I

Molecular Formula

  • C42-H20-Cu3-N8-O18-S4.4H

Molecular Weight

  • 1247.59
 
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Names and Synonyms

Synonym

  • EINECS 275-953-0

Systematic Names

  • Cuprate(4-), (:3-(7-((6-((4'-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-1,5-dihydroxy-7-sulfo-2-naphthalenyl)azo)-8-hydroxy-1,3,6-naphthalenetrisulfonato(10-)))tri-, tetrahydrogen
  • Cuprate(4-), (mu3-(7-((6-((4'-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)azo-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(10-)))tri-, tetrahydrogen
  • Cuprate(4-), (mu3-(7-(2-(6-(2-(4'-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(10-)))tri-, hydrogen (1:4)

Registry Numbers

CAS Registry Number

  • 71735-54-1

System Generated Number

  • 0071735541

Molecular Formulas

Molecular Formula

  • C42-H20-Cu3-N8-O18-S4.4H

Molecular Formula Fragments

  • C42-H20-Cu3-N8-O18-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C42H29N8O18S4.3Cu/c1-19-36(42(56)50(49-19)23-5-3-2-4-6-23)46-43-27-10-7-20(14-30(27)51)21-8-11-28(31(52)15-21)44-47-37-34(72(66,67)68)18-26-25(40(37)54)9-12-29(39(26)53)45-48-38-33(71(63,64)65)16-22-13-24(69(57,58)59)17-32(70(60,61)62)35(22)41(38)55;;;/h2-18,51-55H,1H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q-1;3*+2/p-5/b46-43+,47-44+,48-45+;;;

InChIKey

QTIFPSUVFHSYCJ-FZLNVQBRSA-I

Smiles

[Cu+2].[Cu+2].c1cc(cc([O-])c1\N=N\[C@@-]1C(=O)N(N=C1C)c1ccccc1)c1cc([O-])c(\N=N\c2c(cc3c([O-])c(\N=N\c4c(cc5cc(S([O-])(=O)=O)cc(S([O-])(=O)=O)c5c4[O-])S([O-])(=O)=O)ccc3c2[O-])S([O-])(=O)=O)cc1.[Cu+2]