zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenyl]ethynyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenyl]ethynyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenyl]ethynyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenyl-5-porphyrin-21,22-diidyl)phenyl]ethynyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenylporphyrin-21,22-diid-5-yl)phenyl]ethynyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: zinc 4-[3-ethynyl-5-[2-[4-(10,15,20-triphenylporphine-21,22-diid-5-yl)phenyl]ethynyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C59H38N4OZn MolecularWeight: 884.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C1=CC=CC=C1)[N-]4)C#C)O.[Zn+2]

Isomeric SMILES

CC(C)(C#CC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C1=CC=CC=C1)[N-]4)C#C)O.[Zn+2]

InChI

InChI=1S/C59H38N4O.Zn/c1-4-39-36-41(38-42(37-39)34-35-59(2,3)64)21-20-40-22-24-46(25-23-40)58-53-32-30-51(62-53)56(44-16-10-6-11-17-44)49-28-26-47(60-49)55(43-14-8-5-9-15-43)48-27-29-50(61-48)57(45-18-12-7-13-19-45)52-31-33-54(58)63-52;/h1,5-19,22-33,36-38,64H,2-3H3;/q-2;+2