zinc (1Z)-1-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]ethanolate

Systemtic Name: zinc (1Z)-1-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]ethanolate Openeye Name: zinc (1Z)-1-[13,13-dimethyl-5-(p-tolyl)-12H-porphyrin-22-id-2-ylidene]ethanolate CAS Name: zinc (1Z)-1-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]ethanolate IUPAC Name: zinc (1Z)-1-[13,13-dimethyl-5-(4-methylphenyl)-12H-porphyrin-22-id-2-ylidene]ethanolate Traditional Name: zinc (1Z)-1-[13,13-dimethyl-5-(p-tolyl)-12H-porphin-22-id-2-ylidene]ethanolate Formula: C31H26N4OZn MolecularWeight: 535.97334

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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(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(\C)/[O-])C=C5)C(C4)(C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C31H27N4O.Zn/c1-18-5-7-20(8-6-18)30-26-12-11-21(33-26)13-24-17-31(3,4)29(34-24)15-23-10-9-22(32-23)14-27-25(19(2)36)16-28(30)35-27;/h5-16H,17H2,1-4H3,(H-,32,33,34,35,36);/q-1;+2/p-1