2-tert-butyl-4-methoxy-phenol; pyridin-2-ylmethylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methoxy-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methoxyphenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methoxyphenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methoxy-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C28H37Cl2NO4Ti-2 MolecularWeight: 570.37068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H16O2.C6H5N.2ClH.Ti/c2*1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-6-4-2-3-5-7-6;;;/h2*5-7,12H,1-4H3;1-5H;2*1H;/p-2