4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); dichloride

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); dichloride Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); dichloride CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; carbanide; methane; titanium(2+); dichloride IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; carbanide; methane; titanium(2+); dichloride Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; carbanide; methane; titanium(2+); dichloride Formula: C24H32Cl2OTi-2 MolecularWeight: 455.28328

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C21H22O.CH4.2CH3.2ClH.Ti/c1-21(2,3)18-11-9-16(13-18)17-10-12-20(22)19(14-17)15-7-5-4-6-8-15;;;;;;/h4-8,10-14,22H,9H2,1-3H3;1H4;2*1H3;2*1H;/q;;2*-1;;;+2/p-2