2-tert-butyl-4-methyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methylphenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 2-thenylidenetitanium; dichloride Formula: C27H36Cl2O2STi-2 MolecularWeight: 543.41154

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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.C1=CSC(=C1)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.C1=CSC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.C5H4S.2ClH.Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-5-3-2-4-6-5;;;/h2*5-7,12H,1-4H3;1-4H;2*1H;/p-2