zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,23-diide

Systemtic Name: zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,23-diide Openeye Name: zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(p-tolyl)-2H-porphyrin-22,23-diide CAS Name: zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,23-diide IUPAC Name: zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2H-porphyrin-22,23-diide Traditional Name: zinc 15-(4-iodophenyl)-3,3-dimethyl-10-(p-tolyl)-2H-porphine-22,23-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=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)I)C=C5)CC4(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)I)C=C5)CC4(C)C)[N-]3.[Zn+2]

InChI

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