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

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-methoxy-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-methoxyphenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-methoxyphenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-methoxy-phenol; 2-thenylidenetitanium; dichloride Formula: C27H36Cl2O4STi-2 MolecularWeight: 575.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H16O2.C5H4S.2ClH.Ti/c2*1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-5-3-2-4-6-5;;;/h2*5-7,12H,1-4H3;1-4H;2*1H;/p-2