oxidanyl(oxidanylidene)titanium; 2-phenylpropan-2-ylbenzene; propan-2-ol

Systemtic Name: oxidanyl(oxidanylidene)titanium; 2-phenylpropan-2-ylbenzene; propan-2-ol Openeye Name: hydroxy(oxo)titanium; (1-methyl-1-phenyl-ethyl)benzene; propan-2-ol CAS Name: hydroxy(oxo)titanium; 2-phenylpropan-2-ylbenzene; 2-propanol IUPAC Name: hydroxy(oxo)titanium; 2-phenylpropan-2-ylbenzene; propan-2-ol Traditional Name: cumylbenzene; hydroxy(keto)titanium; propan-2-ol Formula: C48H54O3Ti-3 MolecularWeight: 726.80756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.O[Ti]=O

Isomeric SMILES

CC(C)O.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.CC(C)(C1=CC=CC=C1)C2=CC=[C-]C=C2.O[Ti]=O

InChI

InChI=1S/3C15H15.C3H8O.H2O.O.Ti/c3*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3(2)4;;;/h3*3,5-12H,1-2H3;3-4H,1-2H3;1H2;;/q3*-1;;;;+1/p-1