2-tert-butyl-4-propan-2-yloxy-phenol; pyridin-2-ylmethylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-propan-2-yloxy-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-isopropoxy-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-propan-2-yloxyphenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-propan-2-yloxyphenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-isopropoxy-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C32H45Cl2NO4Ti-2 MolecularWeight: 626.477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)O)C(C)(C)C.CC(C)OC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)O)C(C)(C)C.CC(C)OC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C13H20O2.C6H5N.2ClH.Ti/c2*1-9(2)15-10-6-7-12(14)11(8-10)13(3,4)5;1-6-4-2-3-5-7-6;;;/h2*6-9,14H,1-5H3;1-5H;2*1H;/p-2