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

Systemtic Name: 4-bromanyl-2-tert-butyl-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 4-bromo-2-tert-butyl-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 4-bromo-2-tert-butylphenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 4-bromo-2-tert-butylphenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 4-bromo-2-tert-butyl-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C26H31Br2Cl2NO2Ti-2 MolecularWeight: 668.11084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H13BrO.C6H5N.2ClH.Ti/c2*1-10(2,3)8-6-7(11)4-5-9(8)12;1-6-4-2-3-5-7-6;;;/h2*4-6,12H,1-3H3;1-5H;2*1H;/p-2