N-(2-butyl-5,5-dimethyl-cyclohexyl)benzamide; phenylcarbonylazanide; titanium(3+); dichloride

Systemtic Name: N-(2-butyl-5,5-dimethyl-cyclohexyl)benzamide; phenylcarbonylazanide; titanium(3+); dichloride Openeye Name: benzoylazanide; N-(2-butyl-5,5-dimethyl-cyclohexyl)benzamide; titanium(3+); dichloride CAS Name: benzoylazanide; N-(2-butyl-5,5-dimethylcyclohexyl)benzamide; titanium(3+); dichloride IUPAC Name: benzoylazanide; N-(2-butyl-5,5-dimethylcyclohexyl)benzamide; titanium(3+); dichloride Traditional Name: benzoylazanide; N-(2-butyl-5,5-dimethyl-cyclohexyl)benzamide; titanium(3+); dichloride Formula: C26H35Cl2N2O2Ti MolecularWeight: 526.3413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1NC(=O)C2=CC=CC=C2)(C)C.C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CCCCC1CCC(CC1NC(=O)C2=CC=CC=C2)(C)C.C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C19H29NO.C7H7NO.2ClH.Ti/c1-4-5-9-15-12-13-19(2,3)14-17(15)20-18(21)16-10-7-6-8-11-16;8-7(9)6-4-2-1-3-5-6;;;/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,21);1-5H,(H2,8,9);2*1H;/q;;;;+3/p-3