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Substance Name: Cuprate(4-), (mu-(4-amino-6-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-3,6-disulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(8-)))di-, sodium (1:4)
RN: 68140-35-2
InChIKey: OBQQXJBFUYRMQS-CXSIAIBVSA-F

Molecular Formula

  • C32-H15-Cu2-N5-O16-S4.4Na

Molecular Weight

  • 1072.8055
 
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Names and Synonyms

  • Cuprate(4-), (mu-(4-amino-6-((3,3'-di(hydroxy-kappaO)-4'-((2-(hydroxy-kappaO)-3,6-disulfo-1-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-(4-amino-6-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-3,6-disulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(8-)))di-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 68140-35-2

System Generated Number

  • 0068140352

Molecular Formulas

Molecular Formula

  • C32-H15-Cu2-N5-O16-S4.4Na

Molecular Formula Fragments

  • C32-H15-Cu2-N5-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H23N5O16S4.2Cu.4Na/c33-29-26(56(48,49)50)13-25(55(45,46)47)19-5-8-22(31(40)28(19)29)36-34-20-6-1-14(10-23(20)38)15-2-7-21(24(39)11-15)35-37-30-18-4-3-17(54(42,43)44)9-16(18)12-27(32(30)41)57(51,52)53;;;;;;/h1-13,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;;/q;2*+2;4*+1/p-8/b36-34+,37-35+;;;;;;

InChIKey

OBQQXJBFUYRMQS-CXSIAIBVSA-F

Smiles

c1cc\2c(cc1c3ccc\4c(c3)O[Cu-2]56Oc7c(cc8cc(ccc8c7/N=N4)S(=O)(=O)O5)S(=O)(=O)O6)O[Cu-2]91Oc3c(ccc4c3c(c(cc4S(=O)(=O)O9)S(=O)(=O)O1)N)/N=N2.[Na+].[Na+].[Na+].[Na+]