[(E,3S)-1-cyanooct-1-en-3-yl] butanoate

Systemtic Name: [(E,3S)-1-cyanooct-1-en-3-yl] butanoate Openeye Name: [(1S)-1-[(E)-2-cyanovinyl]hexyl] butanoate CAS Name: butanoic acid [(E,3S)-1-cyanooct-1-en-3-yl] ester IUPAC Name: [(E,3S)-1-cyanooct-1-en-3-yl] butanoate Traditional Name: butyric acid [(E,1S)-1-amyl-3-cyano-allyl] ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-3-5-6-9-12(10-7-11-14)16-13(15)8-4-2/h7,10,12H,3-6,8-9H2,1-2H3/b10-7+/t12-/m0/s1