2-tert-butyl-4-methyl-phenol; methanolate; titanium(3+)

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(3+) Openeye Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(3+) CAS Name: 2-tert-butyl-4-methylphenol; methanolate; titanium(3+) IUPAC Name: 2-tert-butyl-4-methylphenol; methanolate; titanium(3+) Traditional Name: 2-tert-butyl-4-methyl-phenol; methanolate; titanium(3+) Formula: C14H25O4Ti MolecularWeight: 305.2129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].C[O-].[Ti+3]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].C[O-].[Ti+3]

InChI

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