2-tert-butyl-4-methyl-phenol; (2,4,5-trimethylthiophen-3-yl)methylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; (2,4,5-trimethylthiophen-3-yl)methylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; (2,4,5-trimethyl-3-thienyl)methylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methylphenol; (2,4,5-trimethyl-3-thiophenyl)methylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; (2,4,5-trimethylthiophen-3-yl)methylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; (2,4,5-trimethyl-3-thienyl)methylenetitanium; dichloride Formula: C30H42Cl2O2STi-2 MolecularWeight: 585.49128

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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=C(SC(=C1C=[Ti])C)C.[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=C(SC(=C1C=[Ti])C)C.[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.C8H10S.2ClH.Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-5-6(2)8(4)9-7(5)3;;;/h2*5-7,12H,1-4H3;1H,2-4H3;2*1H;/p-2