2,3-ditert-butyl-6-methyl-phenol; (5-methylthiophen-2-yl)methylidenetitanium; dichloride

Systemtic Name: 2,3-ditert-butyl-6-methyl-phenol; (5-methylthiophen-2-yl)methylidenetitanium; dichloride Openeye Name: 2,3-ditert-butyl-6-methyl-phenol; (5-methyl-2-thienyl)methylenetitanium; dichloride CAS Name: 2,3-ditert-butyl-6-methylphenol; (5-methyl-2-thiophenyl)methylidenetitanium; dichloride IUPAC Name: 2,3-ditert-butyl-6-methylphenol; (5-methylthiophen-2-yl)methylidenetitanium; dichloride Traditional Name: 2,3-ditert-butyl-6-methyl-phenol; (5-methyl-2-thienyl)methylenetitanium; dichloride Formula: C36H54Cl2O2STi-2 MolecularWeight: 669.65076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)(C)C)C(C)(C)C)O.CC1=C(C(=C(C=C1)C(C)(C)C)C(C)(C)C)O.CC1=CC=C(S1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)(C)C)C(C)(C)C)O.CC1=C(C(=C(C=C1)C(C)(C)C)C(C)(C)C)O.CC1=CC=C(S1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C15H24O.C6H6S.2ClH.Ti/c2*1-10-8-9-11(14(2,3)4)12(13(10)16)15(5,6)7;1-5-3-4-6(2)7-5;;;/h2*8-9,16H,1-7H3;1,3-4H,2H3;2*1H;/p-2