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Substance Name: Cuprate(4-), (mu-((7,7'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato))(8-)))di-, sodium (1:4)
RN: 80448-87-9
InChIKey: GWGJTMKUWXJKQB-DJHLXCPOSA-F

Classification Code

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

Molecular Formula

  • C41-H22-Cu2-N10-O16-S4.4Na

Molecular Weight

  • 1257.9948
 
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Names and Synonyms

  • Cuprate(4-), (mu-((7,7'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-2-naphthalenesulfonato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((7,7'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-2-naphthalenesulfonato))(8-)))di-, sodium (1:4)

Registry Numbers

CAS Registry Number

  • 80448-87-9

System Generated Number

  • 0080448879

Molecular Formulas

Molecular Formula

  • C41-H22-Cu2-N10-O16-S4.4Na

Molecular Formula Fragments

  • C41-H22-Cu2-N10-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H30N10O16S4.2Cu.4Na/c52-31-12-8-25(68(56,57)58)18-29(31)48-50-35-33(70(62,63)64)16-20-14-23(6-10-27(20)37(35)54)43-40-45-39(42-22-4-2-1-3-5-22)46-41(47-40)44-24-7-11-28-21(15-24)17-34(71(65,66)67)36(38(28)55)51-49-30-19-26(69(59,60)61)9-13-32(30)53;;;;;;/h1-19,52-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H3,42,43,44,45,46,47);;;;;;/q;2*+2;4*+1/p-8/b50-48+,51-49+;;;;;;

InChIKey

GWGJTMKUWXJKQB-DJHLXCPOSA-F

Smiles

c1ccc(cc1)Nc2nc(nc(n2)Nc3cc4c(c5c\6c(c4)S(=O)(=O)O[Cu-2]7(O5)OS(=O)(=O)c8cc(c(cc8)O7)/N=N6)cc3)Nc9cc1c(c2c\3c(c1)S(=O)(=O)O[Cu-2]1(O2)OS(=O)(=O)c2cc(c(cc2)O1)/N=N3)cc9.[Na+].[Na+].[Na+].[Na+]