3-tert-butyl-4-fluoranyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride

Systemtic Name: 3-tert-butyl-4-fluoranyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 3-tert-butyl-4-fluoro-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 3-tert-butyl-4-fluorophenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 3-tert-butyl-4-fluorophenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 3-tert-butyl-4-fluoro-phenol; 2-thenylidenetitanium; dichloride Formula: C25H30Cl2F2O2STi-2 MolecularWeight: 551.339306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H13FO.C5H4S.2ClH.Ti/c2*1-10(2,3)8-6-7(12)4-5-9(8)11;1-5-3-2-4-6-5;;;/h2*4-6,12H,1-3H3;1-4H;2*1H;/p-2