bis(oxidanyl)-oxidanylidene-titanium; [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-oxidanylideneethanoate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-oxidanylideneethanoate Openeye Name: [2,3-bis(1-methyl-1-phenyl-ethyl)phenyl] 2-oxoacetate; dihydroxy(oxo)titanium CAS Name: dihydroxy(oxo)titanium; 2-oxoacetic acid [2,3-bis(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-oxoacetate; dihydroxy(oxo)titanium Traditional Name: dihydroxy(keto)titanium; 2-ketoacetic acid (2,3-dicumylphenyl) ester Formula: C26H28O6Ti MolecularWeight: 484.36392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=C(C(=CC=C2)OC(=O)C=O)C(C)(C)C3=CC=CC=C3.O[Ti](=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=C(C(=CC=C2)OC(=O)C=O)C(C)(C)C3=CC=CC=C3.O[Ti](=O)O

InChI

InChI=1S/C26H26O3.2H2O.O.Ti/c1-25(2,19-12-7-5-8-13-19)21-16-11-17-22(29-23(28)18-27)24(21)26(3,4)20-14-9-6-10-15-20;;;;/h5-18H,1-4H3;2*1H2;;/q;;;;+2/p-2