2-tert-butyl-4-methyl-phenol; methanolate; titanium(2+)

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(2+) Openeye Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(2+) CAS Name: 2-tert-butyl-4-methylphenol; methanolate; titanium(2+) IUPAC Name: 2-tert-butyl-4-methylphenol; methanolate; titanium(2+) Traditional Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(2+) Formula: C13H22O3Ti MolecularWeight: 274.17898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[Ti+2]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[Ti+2]

InChI

InChI=1S/C11H16O.2CH3O.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-2;/h5-7,12H,1-4H3;2*1H3;/q;2*-1;+2