[(3S,4S)-1-cyano-3-methyl-nonan-4-yl] ethanoate

Systemtic Name: [(3S,4S)-1-cyano-3-methyl-nonan-4-yl] ethanoate Openeye Name: [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl] acetate CAS Name: acetic acid [(3S,4S)-1-cyano-3-methylnonan-4-yl] ester IUPAC Name: [(3S,4S)-1-cyano-3-methylnonan-4-yl] acetate Traditional Name: acetic acid [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl] ester Formula: C13H23NO2 MolecularWeight: 225.32722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)CCC#N)OC(=O)C

Isomeric SMILES

CCCCC[C@@H]([C@@H](C)CCC#N)OC(=O)C

InChI

InChI=1S/C13H23NO2/c1-4-5-6-9-13(16-12(3)15)11(2)8-7-10-14/h11,13H,4-9H2,1-3H3/t11-,13-/m0/s1