2-tert-butyl-4-methyl-phenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+)

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Openeye Name: 2-tert-butyl-4-methyl-phenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) CAS Name: 2-tert-butyl-4-methylphenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) IUPAC Name: 2-tert-butyl-4-methylphenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Traditional Name: 2-tert-butyl-4-methyl-phenol; methanolate; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+) Formula: C22H35O3Ti MolecularWeight: 395.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[Ti+3]

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[Ti+3]

InChI

InChI=1S/C11H16O.C9H13.2CH3O.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-6-5-7(2)9(4)8(6)3;2*1-2;/h5-7,12H,1-4H3;6H,1-4H3;2*1H3;/q;3*-1;+3