5-tert-butyl-2,4-dimethyl-phenol; pyridin-2-ylmethylidenetitanium; dichloride

Systemtic Name: 5-tert-butyl-2,4-dimethyl-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 5-tert-butyl-2,4-dimethyl-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 5-tert-butyl-2,4-dimethylphenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 5-tert-butyl-2,4-dimethylphenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 5-tert-butyl-2,4-dimethyl-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C30H41Cl2NO2Ti-2 MolecularWeight: 566.42504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)(C)C)O)C.CC1=CC(=C(C=C1C(C)(C)C)O)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C(C)(C)C)O)C.CC1=CC(=C(C=C1C(C)(C)C)O)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C12H18O.C6H5N.2ClH.Ti/c2*1-8-6-9(2)11(13)7-10(8)12(3,4)5;1-6-4-2-3-5-7-6;;;/h2*6-7,13H,1-5H3;1-5H;2*1H;/p-2