2,2-dimethylpropan-1-ol; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium; dichloride

Systemtic Name: 2,2-dimethylpropan-1-ol; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium; dichloride Openeye Name: 2,2-dimethylpropan-1-ol; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium; dichloride CAS Name: 2,2-dimethyl-1-propanol; (3-methyl-1-cyclopenta-1,3-dienyl)benzene; titanium; dichloride IUPAC Name: 2,2-dimethylpropan-1-ol; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium; dichloride Traditional Name: 2,2-dimethylpropan-1-ol; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium; dichloride Formula: C17H23Cl2OTi-3 MolecularWeight: 362.13692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1)C2=CC=CC=[C-]2.CC(C)(C)CO.[Cl-].[Cl-].[Ti]

Isomeric SMILES

CC1=CCC(=C1)C2=CC=CC=[C-]2.CC(C)(C)CO.[Cl-].[Cl-].[Ti]

InChI

InChI=1S/C12H11.C5H12O.2ClH.Ti/c1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-5(2,3)4-6;;;/h2-5,7,9H,8H2,1H3;6H,4H2,1-3H3;2*1H;/q-1;;;;/p-2