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

Systemtic Name: zinc [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]methanol Openeye Name: zinc [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]methanol CAS Name: zinc [4-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)phenyl]methanol IUPAC Name: zinc [4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]methanol Traditional Name: zinc [4-(10,15,20-triphenylporphine-22,24-diid-5-yl)phenyl]methanol Formula: C45H30N4OZn MolecularWeight: 708.1549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)CO)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)CO)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C45H30N4O.Zn/c50-28-29-16-18-33(19-17-29)45-40-26-24-38(48-40)43(31-12-6-2-7-13-31)36-22-20-34(46-36)42(30-10-4-1-5-11-30)35-21-23-37(47-35)44(32-14-8-3-9-15-32)39-25-27-41(45)49-39;/h1-27,50H,28H2;/q-2;+2