zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]methanolate

Systemtic Name: zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]methanolate Openeye Name: zinc (Z)-[13,13-dimethyl-5-(p-tolyl)-12H-porphyrin-22-id-2-ylidene]methanolate CAS Name: zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]methanolate IUPAC Name: zinc (Z)-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]methanolate Traditional Name: zinc (Z)-[13,13-dimethyl-5-(p-tolyl)-12H-porphin-22-id-2-ylidene]methanolate Formula: C30H24N4OZn MolecularWeight: 521.94676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC6=NC2=CC6=C[O-])C=C5)C(C4)(C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=NC(=CC\6=NC2=C/C6=C/[O-])C=C5)C(C4)(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C30H25N4O.Zn/c1-18-4-6-19(7-5-18)29-25-11-10-21(32-25)13-24-16-30(2,3)28(33-24)15-23-9-8-22(31-23)14-26-20(17-35)12-27(29)34-26;/h4-15,17H,16H2,1-3H3,(H-,31,32,33,34,35);/q-1;+2/p-1