Al(III) phthalocyanine chloride tetrasulfonic acid | SBID = 1470 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 14.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C32H16AlClN8O12S4
M / g/mol: 895.210378
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Al(III) phthalocyanine chloride tetrasulfonic acid
  • Preferred Abbreviation: AlPcS4
  • IUPAC Name:
  • CAS:
  • CID: -555
  • InChiKey: GTTBUPHLSQKZEG-UHFFFAOYSA-M
  • InChi: InChI=1S/C32H16N8O12S4.Al.ClH/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;1H/q-2;+3;/p-1
  • CanoSmiles: Cl[Al]1n2c3/N=C/4\N=C(/N=c/5\n1/c(=N\C1=N/C(=N\c2c2c3ccc(c2)S(=O)(=O)O)/c2c1cc(cc2)S(=O)(=O)O)/c1c5cc(cc1)S(=O)(=O)O)c1c4cc(cc1)S(=O)(=O)O
  • IsoSmiles: Cl[Al]1N(/C2=N\C(C3=C/4C=CC(S(=O)(O)=O)=C3)=NC4=N/5)/C(C6=C2C=CC(S(=O)(O)=O)=C6)=N\C(C7=C/8C=C(S(=O)(O)=O)C=C7)=NC8=N/C9=C(C=C%10)C(C=C%10S(=O)(O)=O)=C5N19