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Substance Name: Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(2,1-diazenediyl-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis(1,5-naphthalenedisulfonato))(10-)))di-, sodium (1:6)
RN: 74685-92-0
InChIKey: ZBRIWTHYBGVPPG-FNNYFTNISA-D

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C54-H29-Cu2-N9-O22-S6.6Na

Molecular Weight

  • 1613.2921
 
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Names and Synonyms

  • Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(2,1-diazenediyl-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis(1,5-naphthalenedisulfonato))(10-)))di-, sodium (1:6)
  • Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(azo-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonato))(10-)))di-, hexasodium

Registry Numbers

CAS Registry Number

  • 74685-92-0

Other Registry Number

  • 84667-42-5

System Generated Number

  • 0074685920

Molecular Formulas

Molecular Formula

  • C54-H29-Cu2-N9-O22-S6.6Na

Molecular Formula Fragments

  • C54-H29-Cu2-N9-O22-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C54H39N9O22S6.2Cu.6Na/c1-25-13-41(43(64)23-39(25)58-56-31-19-37-35(47(21-31)88(74,75)76)5-3-7-45(37)86(68,69)70)60-62-51-49(90(80,81)82)17-27-15-29(9-11-33(27)53(51)66)55-30-10-12-34-28(16-30)18-50(91(83,84)85)52(54(34)67)63-61-42-14-26(2)40(24-44(42)65)59-57-32-20-38-36(48(22-32)89(77,78)79)6-4-8-46(38)87(71,72)73;;;;;;;;/h3-24,55,64-67H,1-2H3,(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85);;;;;;;;/q;2*+2;6*+1/p-10/b58-56-,59-57-,62-60-,63-61-;;;;;;;;

InChIKey

ZBRIWTHYBGVPPG-FNNYFTNISA-D

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cc1cc2N=Nc3c4O[Cu-3]56(Oc2cc1N=Nc7cc(c8cccc(c8c7)S(=O)(=O)O5)S(=O)(=O)O6)OS(=O)(=O)c3cc9cc(Nc%10ccc%11c%12O[Cu-3]%13%14%15Oc%16cc(N=Nc%17cc(c%18cccc(c%18c%17)S(=O)(=O)O%13)S(=O)(=O)O%14)c(C)cc%16N=Nc%12c(cc%11c%10)S(=O)(=O)O%15)ccc49