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Substance Name: Copper phthalocyanine disulfonic acid, barium salt
RN: 67340-41-4
InChIKey: NGHBMKUPGUYKQG-UHFFFAOYSA-L

Molecular Formula

  • C32-H14-Cu-N8-O6-S2.Ba

Molecular Weight

  • 871.521
 
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Names and Synonyms

Results Name

  • Copper phthalocyanine disulfonic acid, barium salt

Synonyms

  • Copper phthalocyanine disulfonic acid, barium salt
  • EINECS 266-653-0

Systematic Names

  • Barium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)
  • Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, barium (1:1)

Registry Numbers

CAS Registry Number

  • 67340-41-4

Other Registry Number

  • 73495-36-0

System Generated Number

  • 0067340414

Molecular Formulas

Molecular Formula

  • C32-H14-Cu-N8-O6-S2.Ba

Molecular Formula Fragments

  • Ba
  • C32-H14-Cu-N8-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C32H16N8O6S2.Ba.Cu/c41-47(42,43)21-13-5-11-19-23(21)32-38-28-18-10-4-2-8-16(18)26(34-28)36-30-20-12-6-14-22(48(44,45)46)24(20)31(40-30)37-27-17-9-3-1-7-15(17)25(33-27)35-29(19)39-32;;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);;/q-2;2*+2/p-2

InChIKey

NGHBMKUPGUYKQG-UHFFFAOYSA-L

Smiles

[Cu+2].S(=O)(=O)(c1c2c(ccc1)c1nc2nc2c3c(cccc3)c(nc3c4cccc(c4c(nc4[n-]c(n1)c1c4cccc1)n3)S([O-])(=O)=O)[n-]2)[O-].[Ba+2]