zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methanol

Systemtic Name: zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methanol Openeye Name: zinc [4-[10,15,20-tris(p-tolyl)porphyrin-23,24-diid-5-yl]phenyl]methanol CAS Name: zinc [4-[10,15,20-tris(4-methylphenyl)-5-porphyrin-23,24-diidyl]phenyl]methanol IUPAC Name: zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-23,24-diid-5-yl]phenyl]methanol Traditional Name: zinc [4-[10,15,20-tris(p-tolyl)porphine-23,24-diid-5-yl]phenyl]methanol Formula: C48H36N4OZn MolecularWeight: 750.23464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CO)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CO)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Zn+2]

InChI

InChI=1S/C48H36N4O.Zn/c1-29-4-12-33(13-5-29)45-37-20-22-39(49-37)46(34-14-6-30(2)7-15-34)41-24-26-43(51-41)48(36-18-10-32(28-53)11-19-36)44-27-25-42(52-44)47(40-23-21-38(45)50-40)35-16-8-31(3)9-17-35;/h4-27,53H,28H2,1-3H3;/q-2;+2