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

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-chloro-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-chlorophenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-chlorophenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-chloro-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C26H31Cl4NO2Ti-2 MolecularWeight: 579.20884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H13ClO.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