benzene; ethanoic acid; methanolate; titanium(3+)

Systemtic Name: benzene; ethanoic acid; methanolate; titanium(3+) Openeye Name: acetic acid; benzene; methanolate; titanium(3+) CAS Name: acetic acid; benzene; methanolate; titanium(3+) IUPAC Name: acetic acid; benzene; methanolate; titanium(3+) Traditional Name: acetic acid; benzene; methanolate; titanium(3+) Formula: C22H25O4Ti-2 MolecularWeight: 401.2985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C[O-].C[O-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+3]

Isomeric SMILES

CC(=O)O.C[O-].C[O-].C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+3]

InChI

InChI=1S/3C6H5.C2H4O2.2CH3O.Ti/c3*1-2-4-6-5-3-1;1-2(3)4;2*1-2;/h3*1-5H;1H3,(H,3,4);2*1H3;/q3*-1;;2*-1;+3