zinc [10,20-bis(4-methylphenyl)-15-phenyl-porphyrin-22,24-diid-5-yl]methanol

Systemtic Name: zinc [10,20-bis(4-methylphenyl)-15-phenyl-porphyrin-22,24-diid-5-yl]methanol Openeye Name: zinc [15-phenyl-10,20-bis(p-tolyl)porphyrin-22,24-diid-5-yl]methanol CAS Name: zinc [10,20-bis(4-methylphenyl)-15-phenyl-5-porphyrin-22,24-diidyl]methanol IUPAC Name: zinc [10,20-bis(4-methylphenyl)-15-phenylporphyrin-22,24-diid-5-yl]methanol Traditional Name: zinc [15-phenyl-10,20-bis(p-tolyl)porphine-22,24-diid-5-yl]methanol Formula: C41H30N4OZn MolecularWeight: 660.1121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)CO)C7=CC=C(C=C7)C)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)CO)C7=CC=C(C=C7)C)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

InChI

InChI=1S/C41H30N4O.Zn/c1-25-8-12-28(13-9-25)40-33-18-16-31(42-33)30(24-46)32-17-19-34(43-32)41(29-14-10-26(2)11-15-29)38-23-21-36(45-38)39(27-6-4-3-5-7-27)35-20-22-37(40)44-35;/h3-23,46H,24H2,1-2H3;/q-2;+2