zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol

Systemtic Name: zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol Openeye Name: zinc [4-[10,15,20-tris(1-hexylheptyl)porphyrin-23,24-diid-5-yl]phenyl]methanol CAS Name: zinc [4-[10,15,20-tri(tridecan-7-yl)-5-porphyrin-23,24-diidyl]phenyl]methanol IUPAC Name: zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol Traditional Name: zinc [4-[10,15,20-tris(1-hexylheptyl)porphine-23,24-diid-5-yl]phenyl]methanol Formula: C66H96N4OZn MolecularWeight: 1026.90364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)CO)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)CO)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]2.[Zn+2]

InChI

InChI=1S/C66H96N4O.Zn/c1-7-13-19-25-31-51(32-26-20-14-8-2)63-55-41-43-57(67-55)64(52(33-27-21-15-9-3)34-28-22-16-10-4)59-45-47-61(69-59)66(54-39-37-50(49-71)38-40-54)62-48-46-60(70-62)65(58-44-42-56(63)68-58)53(35-29-23-17-11-5)36-30-24-18-12-6;/h37-48,51-53,71H,7-36,49H2,1-6H3;/q-2;+2