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Substance Name: Trihydrogen (29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32)cuprate(3-), compound with 1-butoxy-3-((1,1,3,3-tetramethylbutyl)amino)propan-2-ol (1:3)
RN: 93964-38-6
InChIKey: KZRRXBNPIIGJQY-UHFFFAOYSA-N

Molecular Formula

  • C32-H13-Cu-N8-O9-S3.3C15-H33-N-O2.3H

Molecular Weight

  • 1594.5615
 
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Names and Synonyms

Synonym

  • EINECS 300-885-6

Systematic Name

  • Trihydrogen (29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32)cuprate(3-), compound with 1-butoxy-3-((1,1,3,3-tetramethylbutyl)amino)propan-2-ol (1:3)

Registry Numbers

CAS Registry Number

  • 93964-38-6

System Generated Number

  • 0093964386

Molecular Formulas

Molecular Formula

  • C32-H13-Cu-N8-O9-S3.3C15-H33-N-O2.3H

Molecular Formula Fragments

  • C15-H33-N-O2
  • C32-H13-Cu-N8-O9-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C32H16N8O9S3.3C15H33NO2.Cu/c41-50(42,43)14-5-8-19-22(11-14)30-36-27(19)34-25-17-3-1-2-4-18(17)26(33-25)35-28-20-9-6-15(51(44,45)46)12-23(20)31(37-28)40-32-24-13-16(52(47,48)49)7-10-21(24)29(38-30)39-32;3*1-7-8-9-18-11-13(17)10-16-15(5,6)12-14(2,3)4;/h1-13H,(H3-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49);3*13,16-17H,7-12H2,1-6H3;/q-2;;;;+2

InChIKey

KZRRXBNPIIGJQY-UHFFFAOYSA-N

Smiles

[H+].[H+].[H+].CCCCOCC(CNC(C)(C)CC(C)(C)C)O.CCCCOCC(CNC(C)(C)CC(C)(C)C)O.CCCCOCC(CNC(C)(C)CC(C)(C)C)O.c1ccc-2c(c1)/c/3n/c4c5ccc(cc5c([n-]4)/nc/6\nc(/nc\7/c8cc(ccc8/c(/[n-]7)n/c2n3)S(=O)(=O)[O-])-c9c6ccc(c9)S(=O)(=O)[O-])S(=O)(=O)[O-].[Cu+2]