zinc methoxy-[4-[10,15,20-tris(4-methylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc methoxy-[4-[10,15,20-tris(4-methylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc methoxy-[4-[10,15,20-tris(p-tolyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc methoxy-[4-[10,15,20-tris(4-methylphenyl)-5-porphyrin-24-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc methoxy-[4-[10,15,20-tris(4-methylphenyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc methoxy-[4-[10,15,20-tris(p-tolyl)porphin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C49H36N4O2Zn MolecularWeight: 778.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C([O-])OC)C=C4)C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C=C5.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C([O-])OC)C=C4)C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C=C5.[Zn+2]

InChI

InChI=1S/C49H37N4O2.Zn/c1-29-5-11-32(12-6-29)45-37-21-23-39(50-37)46(33-13-7-30(2)8-14-33)41-25-27-43(52-41)48(35-17-19-36(20-18-35)49(54)55-4)44-28-26-42(53-44)47(40-24-22-38(45)51-40)34-15-9-31(3)10-16-34;/h5-28H,1-4H3,(H-,50,51,52,53,54);/q-1;+2/p-1