N-(3,3-ditert-butylcyclohexyl)methanamide; methanoylazanide; propan-2-olate; titanium(3+)

Systemtic Name: N-(3,3-ditert-butylcyclohexyl)methanamide; methanoylazanide; propan-2-olate; titanium(3+) Openeye Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; propan-2-olate; titanium(3+) CAS Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; 2-propanolate; titanium(3+) IUPAC Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; propan-2-olate; titanium(3+) Traditional Name: N-(3,3-ditert-butylcyclohexyl)formamide; formylazanide; propan-2-olate; titanium(3+) Formula: C22H45N2O4Ti MolecularWeight: 449.4707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO.2C3H7O.CH3NO.Ti/c1-13(2,3)15(14(4,5)6)9-7-8-12(10-15)16-11-17;2*1-3(2)4;2-1-3;/h11-12H,7-10H2,1-6H3,(H,16,17);2*3H,1-2H3;1H,(H2,2,3);/q;2*-1;;+3/p-1