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Substance Name: EINECS 267-927-2
RN: 67952-81-2
InChIKey: UDCWWDPUPMLSKF-NLZHFEITSA-H

Molecular Formula

  • C40-H22-Cu2-N8-O16-S4.4Na

Molecular Weight

  • 1217.97
 
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Names and Synonyms

Results Name

  • EINECS 267-927-2

Synonyms

  • Copper, (tetrahydrogen 3,3'-dihydroxy-4,4'-bis((3-methyl-5-oxo-1-(5,7-disulfonato-2-naphthenyl)-2-pyrazolin-4-yl)azo)-1,1'-biphenyl)di-, tetrasodium salt
  • EINECS 267-927-2

Systematic Names

  • Cuprate(4-), (mu-((6,6'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis((2,1-diazenediyl-kappaN1)(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazole-4,1-diyl)))bis(1,3-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
  • Cuprate(4-), (mu-((6,6'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis((azo-kappaN1)(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazole-4,1-diyl)))bis(1,3-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((6,6'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(1,3-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Tetrasodium (mu-((6,6'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(naphthalene-1,3-disulphonato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 67952-81-2

System Generated Number

  • 0067952812

Molecular Formulas

Molecular Formula

  • C40-H22-Cu2-N8-O16-S4.4Na

Molecular Formula Fragments

  • C40-H22-Cu2-N8-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H28N8O16S4.2Cu.4Na/c1-19-37(39(51)47(45-19)25-5-7-29-23(11-25)13-27(65(53,54)55)17-35(29)67(59,60)61)43-41-31-9-3-21(15-33(31)49)22-4-10-32(34(50)16-22)42-44-38-20(2)46-48(40(38)52)26-6-8-30-24(12-26)14-28(66(56,57)58)18-36(30)68(62,63)64;;;;;;/h3-18,49-50H,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;;/q-2;2*+2;4*+1/p-6/b43-41+,44-42+;;;;;;

InChIKey

UDCWWDPUPMLSKF-NLZHFEITSA-H

Smiles

[Cu+2].C1(=NN(c2ccc3c(cc(cc3c2)S([O-])(=O)=O)S(=O)(=O)[O-])C([C@@-]1\N=N\c1ccc(c2cc([O-])c(\N=N\[C@@-]3C(=NN(C3=O)c3ccc4c(c3)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)C)cc2)cc1[O-])=O)C.[Cu+2].[Na+].[Na+].[Na+].[Na+]