zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]methanol

Systemtic Name: zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]methanol Openeye Name: zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]methanol CAS Name: zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]methanol IUPAC Name: zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]methanol Traditional Name: zinc [4-[15-(4-tert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]phenyl]methanol Formula: C65H86N4OZn MolecularWeight: 1004.81354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC=C(C=C6)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)CO)C.[Zn+2]

Isomeric SMILES

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC=C(C=C6)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)CO)C.[Zn+2]

InChI

InChI=1S/C65H86N4O.Zn/c1-12-16-20-24-28-51-43(5)61-59(48-34-32-47(42-70)33-35-48)62-44(6)52(29-25-21-17-13-2)56(67-62)41-58-54(31-27-23-19-15-4)46(8)64(69-58)60(49-36-38-50(39-37-49)65(9,10)11)63-45(7)53(30-26-22-18-14-3)57(68-63)40-55(51)66-61;/h32-41,70H,12-31,42H2,1-11H3;/q-2;+2