2-tert-butyl-4-methyl-phenol; methylidenetitanium; 3-methylpyridine; dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; methylidenetitanium; 3-methylpyridine; dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; methylenetitanium; 3-methylpyridine; dichloride CAS Name: 2-tert-butyl-4-methylphenol; methylenetitanium; 3-methylpyridine; dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; methylidenetitanium; 3-methylpyridine; dichloride Traditional Name: $b-picoline; 2-tert-butyl-4-methyl-phenol; methylenetitanium; dichloride Formula: C29H41Cl2NO2Ti-2 MolecularWeight: 554.41434

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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=CC=C1.C=[Ti].[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=CC=C1.C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.C6H7N.CH2.2ClH.Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-6-3-2-4-7-5-6;;;;/h2*5-7,12H,1-4H3;2-5H,1H3;1H2;2*1H;/p-2