phenylcarbonylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride

Systemtic Name: phenylcarbonylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride Openeye Name: benzoylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride CAS Name: benzoylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride IUPAC Name: benzoylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride Traditional Name: benzoylazanide; titanium(3+); N-(2,5,5-trimethylcyclohexyl)benzamide; dichloride Formula: C23H29Cl2N2O2Ti MolecularWeight: 484.26156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1NC(=O)C2=CC=CC=C2)(C)C.C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC1CCC(CC1NC(=O)C2=CC=CC=C2)(C)C.C1=CC=C(C=C1)C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C16H23NO.C7H7NO.2ClH.Ti/c1-12-9-10-16(2,3)11-14(12)17-15(18)13-7-5-4-6-8-13;8-7(9)6-4-2-1-3-5-6;;;/h4-8,12,14H,9-11H2,1-3H3,(H,17,18);1-5H,(H2,8,9);2*1H;/q;;;;+3/p-3