benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butyl-4-methyl-phenol; methane; titanium(2+); dichloride

Systemtic Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butyl-4-methyl-phenol; methane; titanium(2+); dichloride Openeye Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butyl-4-methyl-phenol; methane; titanium(2+); dichloride CAS Name: benzene; (3-tert-butyl-1-cyclopenta-1,3-dienyl)benzene; 2-tert-butyl-4-methylphenol; methane; titanium(2+); dichloride IUPAC Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butyl-4-methylphenol; methane; titanium(2+); dichloride Traditional Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butyl-4-methyl-phenol; methane; titanium(2+); dichloride Formula: C33H42Cl2OTi-2 MolecularWeight: 573.45898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17.C11H16O.C6H5.CH4.2ClH.Ti/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12;1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-6-5-3-1;;;;/h4-5,7-8,10-11H,9H2,1-3H3;5-7,12H,1-4H3;1-5H;1H4;2*1H;/q-1;;-1;;;;+2/p-2