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Substance Name: Cuprate(4-), (mu-((7,7'-((6-(phenylamino)-1,3,5-triazine-2,4-diyl)diimino)bis(3-(2-(3-chloro-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2-naphthalenesulfonato))(8-)))di-, sodium (1:4)
RN: 80448-88-0
InChIKey: IDGXQZNMFMMJKB-ANAIYBGRSA-F

Classification Code

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

Molecular Formula

  • C41-H20-Cl2-Cu2-N10-O16-S4.4Na

Molecular Weight

  • 1326.885
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 80448-88-0

System Generated Number

  • 0080448880

Molecular Formulas

Molecular Formula

  • C41-H20-Cl2-Cu2-N10-O16-S4.4Na

Molecular Formula Fragments

  • C41-H20-Cl2-Cu2-N10-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H28Cl2N10O16S4.2Cu.4Na/c42-27-14-23(70(58,59)60)16-29(37(27)56)50-52-33-31(72(64,65)66)12-18-10-21(6-8-25(18)35(33)54)45-40-47-39(44-20-4-2-1-3-5-20)48-41(49-40)46-22-7-9-26-19(11-22)13-32(73(67,68)69)34(36(26)55)53-51-30-17-24(71(61,62)63)15-28(43)38(30)57;;;;;;/h1-17,54-57H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H3,44,45,46,47,48,49);;;;;;/q;2*+2;4*+1/p-8/b52-50+,53-51+;;;;;;

InChIKey

IDGXQZNMFMMJKB-ANAIYBGRSA-F

Smiles

c1ccc(cc1)Nc2nc(nc(n2)Nc3cc4c(c5c\6c(c4)S(=O)(=O)O[Cu-2]7(O5)OS(=O)(=O)c8cc(c(c(c8)/N=N6)O7)Cl)cc3)Nc9cc1c(c2c\3c(c1)S(=O)(=O)O[Cu-2]1(O2)OS(=O)(=O)c2cc(c(c(c2)/N=N3)O1)Cl)cc9.[Na+].[Na+].[Na+].[Na+]