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

Systemtic Name: 2-tert-butyl-4-ethoxy-phenol; pyridin-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-ethoxy-phenol; 2-pyridylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-ethoxyphenol; 2-pyridinylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-ethoxyphenol; pyridin-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-ethoxy-phenol; 2-pyridylmethylenetitanium; dichloride Formula: C30H41Cl2NO4Ti-2 MolecularWeight: 598.42384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)O)C(C)(C)C.CCOC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)O)C(C)(C)C.CCOC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=NC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C12H18O2.C6H5N.2ClH.Ti/c2*1-5-14-9-6-7-11(13)10(8-9)12(2,3)4;1-6-4-2-3-5-7-6;;;/h2*6-8,13H,5H2,1-4H3;1-5H;2*1H;/p-2