N-(3,3-dimethylcyclohexyl)propanamide; propan-2-olate; propanoylazanide; titanium(3+)

Systemtic Name: N-(3,3-dimethylcyclohexyl)propanamide; propan-2-olate; propanoylazanide; titanium(3+) Openeye Name: N-(3,3-dimethylcyclohexyl)propanamide; propan-2-olate; propanoylazanide; titanium(3+) CAS Name: N-(3,3-dimethylcyclohexyl)propanamide; 1-oxopropylazanide; 2-propanolate; titanium(3+) IUPAC Name: N-(3,3-dimethylcyclohexyl)propanamide; propan-2-olate; propanoylazanide; titanium(3+) Traditional Name: N-(3,3-dimethylcyclohexyl)propionamide; propan-2-olate; propionylazanide; titanium(3+) Formula: C20H41N2O4Ti MolecularWeight: 421.41754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO.C3H7NO.2C3H7O.Ti/c1-4-10(13)12-9-6-5-7-11(2,3)8-9;1-2-3(4)5;2*1-3(2)4;/h9H,4-8H2,1-3H3,(H,12,13);2H2,1H3,(H2,4,5);2*3H,1-2H3;/q;;2*-1;+3/p-1