butanoylazanide; N-(3,3-dimethylcyclohexyl)butanamide; propan-2-olate; titanium(3+)

Systemtic Name: butanoylazanide; N-(3,3-dimethylcyclohexyl)butanamide; propan-2-olate; titanium(3+) Openeye Name: butanoylazanide; N-(3,3-dimethylcyclohexyl)butanamide; propan-2-olate; titanium(3+) CAS Name: N-(3,3-dimethylcyclohexyl)butanamide; 1-oxobutylazanide; 2-propanolate; titanium(3+) IUPAC Name: butanoylazanide; N-(3,3-dimethylcyclohexyl)butanamide; propan-2-olate; titanium(3+) Traditional Name: butyrylazanide; N-(3,3-dimethylcyclohexyl)butyramide; propan-2-olate; titanium(3+) Formula: C22H45N2O4Ti MolecularWeight: 449.4707

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[NH-].CCCC(=O)NC1CCCC(C1)(C)C.CC(C)[O-].CC(C)[O-].[Ti+3]

Isomeric SMILES

CCCC(=O)[NH-].CCCC(=O)NC1CCCC(C1)(C)C.CC(C)[O-].CC(C)[O-].[Ti+3]

InChI

InChI=1S/C12H23NO.C4H9NO.2C3H7O.Ti/c1-4-6-11(14)13-10-7-5-8-12(2,3)9-10;1-2-3-4(5)6;2*1-3(2)4;/h10H,4-9H2,1-3H3,(H,13,14);2-3H2,1H3,(H2,5,6);2*3H,1-2H3;/q;;2*-1;+3/p-1