N-(3,3-ditert-butylcyclohexyl)methanamide; methanoylazanide; titanium(3+); dichloride

Systemtic Name: N-(3,3-ditert-butylcyclohexyl)methanamide; methanoylazanide; titanium(3+); dichloride Openeye Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; titanium(3+); dichloride CAS Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; titanium(3+); dichloride IUPAC Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; titanium(3+); dichloride Traditional Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; titanium(3+); dichloride Formula: C16H31Cl2N2O2Ti MolecularWeight: 402.20254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CCCC(C1)NC=O)C(C)(C)C.C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC(C)(C)C1(CCCC(C1)NC=O)C(C)(C)C.C(=O)[NH-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C15H29NO.CH3NO.2ClH.Ti/c1-13(2,3)15(14(4,5)6)9-7-8-12(10-15)16-11-17;2-1-3;;;/h11-12H,7-10H2,1-6H3,(H,16,17);1H,(H2,2,3);2*1H;/q;;;;+3/p-3