cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium

Systemtic Name: cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium Openeye Name: cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium CAS Name: cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium IUPAC Name: cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium Traditional Name: cyclopenta-1,3-diene; 2,2,7,7-tetramethylocta-3,5-diene; 2,3,5,6-tetraphenylphenol; titanium Formula: C47H47OTi-3 MolecularWeight: 675.74248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]=CC=[C-]C(C)(C)C.[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5.[Ti]

Isomeric SMILES

CC(C)(C)[C-]=CC=[C-]C(C)(C)C.[CH-]1C=CC=C1.C1=CC=C(C=C1)C2=CC(=C(C(=C2C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5.[Ti]

InChI

InChI=1S/C30H22O.C12H20.C5H5.Ti/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-11(2,3)9-7-8-10-12(4,5)6;1-2-4-5-3-1;/h1-21,31H;7-8H,1-6H3;1-5H;/q;-2;-1;