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

Systemtic Name: [(3S,4S)-1-cyano-3-methyl-nonan-4-yl] methanoate Openeye Name: [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl] formate CAS Name: formic acid [(3S,4S)-1-cyano-3-methylnonan-4-yl] ester IUPAC Name: [(3S,4S)-1-cyano-3-methylnonan-4-yl] formate Traditional Name: formic acid [(1S)-1-[(1S)-3-cyano-1-methyl-propyl]hexyl] ester Formula: C12H21NO2 MolecularWeight: 211.30064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO2/c1-3-4-5-8-12(15-10-14)11(2)7-6-9-13/h10-12H,3-8H2,1-2H3/t11-,12-/m0/s1