zinc 3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide

Systemtic Name: zinc 3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide Openeye Name: zinc 3,3-dimethyl-15-(p-tolyl)-2H-porphyrin-23,24-diide CAS Name: zinc 3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide IUPAC Name: zinc 3,3-dimethyl-15-(4-methylphenyl)-2H-porphyrin-23,24-diide Traditional Name: zinc 3,3-dimethyl-15-(p-tolyl)-2H-porphine-23,24-diide Formula: C29H24N4Zn MolecularWeight: 493.93666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=CC=C2[N-]6)CC5(C)C)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=CC=C2[N-]6)CC5(C)C)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C29H24N4.Zn/c1-18-4-6-19(7-5-18)28-25-12-10-21(31-25)14-20-8-9-23(30-20)16-27-29(2,3)17-24(33-27)15-22-11-13-26(28)32-22;/h4-16H,17H2,1-3H3;/q-2;+2