[(E,1S)-1-cyanooct-2-enyl] butanoate

Systemtic Name: [(E,1S)-1-cyanooct-2-enyl] butanoate Openeye Name: [(E,1S)-1-cyanooct-2-enyl] butanoate CAS Name: butanoic acid [(E,1S)-1-cyanooct-2-enyl] ester IUPAC Name: [(E,1S)-1-cyanooct-2-enyl] butanoate Traditional Name: butyric acid [(E,1S)-1-cyanooct-2-enyl] ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-3-5-6-7-8-10-12(11-14)16-13(15)9-4-2/h8,10,12H,3-7,9H2,1-2H3/b10-8+/t12-/m0/s1