2-tert-butyl-4-methyl-phenol; (2,5-dimethylpyridin-3-yl)methylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; (2,5-dimethylpyridin-3-yl)methylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; (2,5-dimethyl-3-pyridyl)methylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methylphenol; (2,5-dimethyl-3-pyridinyl)methylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; (2,5-dimethylpyridin-3-yl)methylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; (2,5-dimethyl-3-pyridyl)methylenetitanium; dichloride Formula: C30H41Cl2NO2Ti-2 MolecularWeight: 566.42504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CN=C(C(=C1)C=[Ti])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CN=C(C(=C1)C=[Ti])C.[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.C8H9N.2ClH.Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-6-4-7(2)8(3)9-5-6;;;/h2*5-7,12H,1-4H3;2,4-5H,1,3H3;2*1H;/p-2