2-tert-butyl-4-methyl-phenol; (3,4-dimethylthiophen-2-yl)methylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; (3,4-dimethylthiophen-2-yl)methylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; (3,4-dimethyl-2-thienyl)methylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methylphenol; (3,4-dimethyl-2-thiophenyl)methylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; (3,4-dimethylthiophen-2-yl)methylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; (3,4-dimethyl-2-thienyl)methylenetitanium; dichloride Formula: C29H40Cl2O2STi-2 MolecularWeight: 571.4647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CSC(=C1C)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CSC(=C1C)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.C7H8S.2ClH.Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-5-4-8-7(3)6(5)2;;;/h2*5-7,12H,1-4H3;3-4H,1-2H3;2*1H;/p-2