5-tert-butyl-2,4-dimethyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride

Systemtic Name: 5-tert-butyl-2,4-dimethyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 5-tert-butyl-2,4-dimethyl-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 5-tert-butyl-2,4-dimethylphenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 5-tert-butyl-2,4-dimethylphenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 5-tert-butyl-2,4-dimethyl-phenol; 2-thenylidenetitanium; dichloride Formula: C29H40Cl2O2STi-2 MolecularWeight: 571.4647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H18O.C5H4S.2ClH.Ti/c2*1-8-6-9(2)11(13)7-10(8)12(3,4)5;1-5-3-2-4-6-5;;;/h2*6-7,13H,1-5H3;1-4H;2*1H;/p-2