methylbenzene; propan-2-olate; titanium(4+)

Systemtic Name: methylbenzene; propan-2-olate; titanium(4+) Openeye Name: methylbenzene; propan-2-olate; titanium(4+) CAS Name: methylbenzene; 2-propanolate; titanium(4+) IUPAC Name: methylbenzene; propan-2-olate; titanium(4+) Traditional Name: methylbenzene; propan-2-olate; titanium(4+) Formula: C16H28O3Ti MolecularWeight: 316.25872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C-]=CC=C1.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

Isomeric SMILES

CC1=C[C-]=CC=C1.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

InChI

InChI=1S/C7H7.3C3H7O.Ti/c1-7-5-3-2-4-6-7;3*1-3(2)4;/h2-3,5-6H,1H3;3*3H,1-2H3;/q4*-1;+4