zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide

Systemtic Name: zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide Openeye Name: zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(p-tolyl)-2H-porphyrin-22,24-diide CAS Name: zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide IUPAC Name: zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide Traditional Name: zinc 17-(4-iodophenyl)-3,3-dimethyl-10-(p-tolyl)-2H-porphine-22,24-diide Formula: C35H27IN4Zn MolecularWeight: 695.92915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=CC(=C([N-]5)C=C6C=CC2=N6)C7=CC=C(C=C7)I)CC4(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=CC(=C([N-]5)C=C6C=CC2=N6)C7=CC=C(C=C7)I)CC4(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C35H27IN4.Zn/c1-21-4-6-23(7-5-21)34-30-14-12-25(37-30)18-32-29(22-8-10-24(36)11-9-22)17-27(39-32)16-28-20-35(2,3)33(40-28)19-26-13-15-31(34)38-26;/h4-19H,20H2,1-3H3;/q-2;+2