zinc 2-[[4-(15-phenylporphyrin-22,24-diid-5-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: zinc 2-[[4-(15-phenylporphyrin-22,24-diid-5-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: zinc 2-[[4-(15-phenylporphyrin-22,24-diid-5-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: zinc 2-[[4-(15-phenyl-5-porphyrin-22,24-diidyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: zinc 2-[[4-(15-phenylporphyrin-22,24-diid-5-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: zinc 2-[4-(15-phenylporphine-22,24-diid-5-yl)benzyl]isoindoline-1,3-quinone Formula: C41H25N5O2Zn MolecularWeight: 685.0785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=CC=C(C=C7)CN8C(=O)C9=CC=CC=C9C8=O)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=CC=C(C=C7)CN8C(=O)C9=CC=CC=C9C8=O)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C41H25N5O2.Zn/c47-40-32-8-4-5-9-33(32)41(48)46(40)24-25-10-12-27(13-11-25)39-36-20-16-30(44-36)22-28-14-18-34(42-28)38(26-6-2-1-3-7-26)35-19-15-29(43-35)23-31-17-21-37(39)45-31;/h1-23H,24H2;/q-2;+2