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Substance Name: Cuprate(5-), (mu3-(3-(2-(6-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(11-)))tri-, sodium (1:5)
RN: 71735-53-0
InChIKey: WKHPNDTZXAQIMP-RDFAHCKRSA-C

Molecular Formula

  • C42-H17-Cu3-N6-O21-S5.5Na

Molecular Weight

  • 1407.5353
 
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Names and Synonyms

Synonym

  • EINECS 275-952-5

Systematic Names

  • Cuprate(5-), (:3-(3-((6-((3,3'-dihydroxy-4'-((1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-1,5-dihydroxy-7-sulfo-2-naphthalenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonato(11-)))tri-, pentasodium
  • Cuprate(5-), (mu3-(3-((6-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(11-)))tri-, pentasodium
  • Cuprate(5-), (mu3-(3-(2-(6-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-3,6-disulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-1,5-di(hydroxy-kappaO)-7-sulfo-2-naphthalenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(11-)))tri-, sodium (1:5)

Registry Numbers

CAS Registry Number

  • 71735-53-0

System Generated Number

  • 0071735530

Molecular Formulas

Molecular Formula

  • C42-H17-Cu3-N6-O21-S5.5Na

Molecular Formula Fragments

  • C42-H17-Cu3-N6-O21-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H28N6O21S5.3Cu.5Na/c49-32-16-24(72(61,62)63)15-28-27(32)17-31(37(42(28)54)46-48-39-36(74(67,68)69)14-21-10-23(71(58,59)60)4-6-26(21)41(39)53)45-43-29-7-1-18(11-33(29)50)19-2-8-30(34(51)12-19)44-47-38-35(73(64,65)66)13-20-9-22(70(55,56)57)3-5-25(20)40(38)52;;;;;;;;/h1-17,49-54H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;;;;/q;3*+2;5*+1/p-11/b45-43+,47-44+,48-46+;;;;;;;;

InChIKey

WKHPNDTZXAQIMP-RDFAHCKRSA-C

Smiles

c1cc\2c3cc1-c4ccc(c(c4)O[Cu-2]56Oc7c8ccc(cc8cc(c7/N=N/c9c(cc1c4c9O[Cu-2]7(O3)Oc1cc(c4)S(=O)(=O)O7)/N=N2)S(=O)(=O)O5)S(=O)(=O)O6)/N=N/c1c2cc3cc4ccc3c1O[Cu-](OS4(=O)=O)OS2(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]