cyclopenta-1,3-diene; 3-(2,2-diphenylethenyl)-2-methyl-4,5-diphenyl-pent-4-en-2-ol; titanium

Systemtic Name: cyclopenta-1,3-diene; 3-(2,2-diphenylethenyl)-2-methyl-4,5-diphenyl-pent-4-en-2-ol; titanium Openeye Name: cyclopenta-1,3-diene; 3-(2,2-diphenylvinyl)-2-methyl-4,5-diphenyl-pent-4-en-2-ol; titanium CAS Name: cyclopenta-1,3-diene; 3-(2,2-diphenylethenyl)-2-methyl-4,5-diphenyl-4-penten-2-ol; titanium IUPAC Name: cyclopenta-1,3-diene; 3-(2,2-diphenylethenyl)-2-methyl-4,5-diphenylpent-4-en-2-ol; titanium Traditional Name: cyclopenta-1,3-diene; 3-(2,2-diphenylvinyl)-2-methyl-4,5-diphenyl-pent-4-en-2-ol; titanium Formula: C42H39OTi-3 MolecularWeight: 607.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4)O.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti]

Isomeric SMILES

CC(C)(C(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4)O.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti]

InChI

InChI=1S/C32H29O.2C5H5.Ti/c1-32(2,33)31(24-29(26-17-9-4-10-18-26)27-19-11-5-12-20-27)30(28-21-13-6-14-22-28)23-25-15-7-3-8-16-25;2*1-2-4-5-3-1;/h3-22,24,31,33H,1-2H3;2*1-5H;/q3*-1;