2-(2-phenylpropan-2-yl)benzoate; titanium(4+); carbonate

Systemtic Name: 2-(2-phenylpropan-2-yl)benzoate; titanium(4+); carbonate Openeye Name: 2-(1-methyl-1-phenyl-ethyl)benzoate; titanium(4+); carbonate CAS Name: 2-(2-phenylpropan-2-yl)benzoate; titanium(4+); carbonate IUPAC Name: 2-(2-phenylpropan-2-yl)benzoate; titanium(4+); carbonate Traditional Name: 2-cumylbenzoate; titanium(4+); carbonate Formula: C33H30O7Ti MolecularWeight: 586.4541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].C(=O)([O-])[O-].[Ti+4]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].CC(C)(C1=CC=CC=C1)C2=CC=CC=C2C(=O)[O-].C(=O)([O-])[O-].[Ti+4]

InChI

InChI=1S/2C16H16O2.CH2O3.Ti/c2*1-16(2,12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(17)18;2-1(3)4;/h2*3-11H,1-2H3,(H,17,18);(H2,2,3,4);/q;;;+4/p-4