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Substance Name: EINECS 266-282-4
RN: 66256-76-6
InChIKey: UGYKEQSYYMENLI-SYXGLAPGSA-F

Molecular Formula

  • C42-H22-Cu2-N8-O17-S4.4Na

Molecular Weight

  • 1257.99
 
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Names and Synonyms

Results Name

  • EINECS 266-282-4

Synonyms

  • Copper, (tetrahydrogen 1-hydroxy-2-((((2-hydroxy-3,6-disulfo-1-naphthenyl)azo)-3,3'-dihydroxy-4,4'-biphenylene)azo)-8-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-3,6-naphthalenedisulfonato-)di-, tetrasodium salt
  • EINECS 266-282-4

Systematic Names

  • Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-((4'-((3,6-disulfo-2-hydroxy-1-naphthalenyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-(5-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-3-(2-(4'-(2-(3,6-disulfo-2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(8-)))di-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 66256-76-6

Other Registry Number

  • 68110-19-0

System Generated Number

  • 0066256766

Molecular Formulas

Molecular Formula

  • C42-H22-Cu2-N8-O17-S4.4Na

Molecular Formula Fragments

  • C42-H22-Cu2-N8-O17-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H30N8O17S4.2Cu.4Na/c1-20-37(42(55)50(49-20)25-5-3-2-4-6-25)46-45-31-19-27(69(59,60)61)14-24-18-34(70(62,63)64)39(41(54)36(24)31)48-44-30-12-8-22(16-33(30)52)21-7-11-29(32(51)15-21)43-47-38-28-10-9-26(68(56,57)58)13-23(28)17-35(40(38)53)71(65,66)67;;;;;;/h2-19,37,51-54H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8/b46-45-,47-43+,48-44-;;;;;;

InChIKey

UGYKEQSYYMENLI-SYXGLAPGSA-F

Smiles

N1(C([C@@H](\N=N/c2c3c(c(\N=N/c4c(cc(cc4)c4cc([O-])c(\N=N\c5c(c(S(=O)(=O)[O-])cc6c5ccc(S(=O)(=O)[O-])c6)[O-])cc4)[O-])c(cc3cc(S(=O)(=O)[O-])c2)S(=O)(=O)[O-])[O-])C(=N1)C)=O)c1ccccc1.[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]