zinc 13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide

Systemtic Name: zinc 13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide Openeye Name: zinc 13-(4-iodophenyl)-3,3-dimethyl-10-(p-tolyl)-2H-porphyrin-22,24-diide CAS Name: zinc 13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide IUPAC Name: zinc 13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,24-diide Traditional Name: zinc 13-(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=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2[N-]6)C(C5)(C)C)[N-]4)C7=CC=C(C=C7)I.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2[N-]6)C(C5)(C)C)[N-]4)C7=CC=C(C=C7)I.[Zn+2]

InChI

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