3-tert-butyl-2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-chloranyl-phenol; propan-2-ylidenetitanium; dichloride

Systemtic Name: 3-tert-butyl-2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-chloranyl-phenol; propan-2-ylidenetitanium; dichloride Openeye Name: 3-tert-butyl-2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-chloro-phenol; isopropylidenetitanium; dichloride CAS Name: 3-tert-butyl-2-(2-tert-butyl-1-cyclopenta-1,3-dienyl)-5-chlorophenol; propan-2-ylidenetitanium; dichloride IUPAC Name: 3-tert-butyl-2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-chlorophenol; propan-2-ylidenetitanium; dichloride Traditional Name: 3-tert-butyl-2-(2-tert-butylcyclopenta-1,3-dien-1-yl)-5-chloro-phenol; isopropylidenetitanium; dichloride Formula: C22H31Cl3OTi-2 MolecularWeight: 465.70694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti])C.CC(C)(C)C1=C(CC=C1)C2=C(C=C(C=C2C(C)(C)C)Cl)O.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Ti])C.CC(C)(C)C1=C(CC=C1)C2=C(C=C(C=C2C(C)(C)C)Cl)O.[Cl-].[Cl-]

InChI

InChI=1S/C19H25ClO.C3H6.2ClH.Ti/c1-18(2,3)14-9-7-8-13(14)17-15(19(4,5)6)10-12(20)11-16(17)21;1-3-2;;;/h7,9-11,21H,8H2,1-6H3;1-2H3;2*1H;/p-2