benzoic acid; methanolate; titanium(2+)

Systemtic Name: benzoic acid; methanolate; titanium(2+) Openeye Name: benzoic acid; methanolate; titanium(2+) CAS Name: benzoic acid; methanolate; titanium(2+) IUPAC Name: benzoic acid; methanolate; titanium(2+) Traditional Name: benzoic acid; methanolate; titanium(2+) Formula: C16H18O6Ti MolecularWeight: 354.17752

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C[O-].C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti+2]

Isomeric SMILES

C[O-].C[O-].C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti+2]

InChI

InChI=1S/2C7H6O2.2CH3O.Ti/c2*8-7(9)6-4-2-1-3-5-6;2*1-2;/h2*1-5H,(H,8,9);2*1H3;/q;;2*-1;+2