bis(oxidanyl)-oxidanylidene-titanium; 3-methyl-2-phenoxy-3-phenyl-2-(2-phenylpropan-2-yl)butanoate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 3-methyl-2-phenoxy-3-phenyl-2-(2-phenylpropan-2-yl)butanoate Openeye Name: dihydroxy(oxo)titanium; 3-methyl-2-(1-methyl-1-phenyl-ethyl)-2-phenoxy-3-phenyl-butanoate CAS Name: dihydroxy(oxo)titanium; 3-methyl-2-phenoxy-3-phenyl-2-(2-phenylpropan-2-yl)butanoate IUPAC Name: dihydroxy(oxo)titanium; 3-methyl-2-phenoxy-3-phenyl-2-(2-phenylpropan-2-yl)butanoate Traditional Name: 2-cumyl-3-methyl-2-phenoxy-3-phenyl-butyrate; dihydroxy(keto)titanium Formula: C26H29O6Ti- MolecularWeight: 485.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(C(=O)[O-])(C(C)(C)C2=CC=CC=C2)OC3=CC=CC=C3.O[Ti](=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(C(=O)[O-])(C(C)(C)C2=CC=CC=C2)OC3=CC=CC=C3.O[Ti](=O)O

InChI

InChI=1S/C26H28O3.2H2O.O.Ti/c1-24(2,20-14-8-5-9-15-20)26(23(27)28,29-22-18-12-7-13-19-22)25(3,4)21-16-10-6-11-17-21;;;;/h5-19H,1-4H3,(H,27,28);2*1H2;;/q;;;;+2/p-3