[(3S)-6-oxidanylidenehexan-3-yl] benzoate

Systemtic Name: [(3S)-6-oxidanylidenehexan-3-yl] benzoate Openeye Name: [(1S)-1-ethyl-4-oxo-butyl] benzoate CAS Name: benzoic acid [(3S)-6-oxohexan-3-yl] ester IUPAC Name: [(3S)-6-oxohexan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-ethyl-4-keto-butyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@@H](CCC=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16O3/c1-2-12(9-6-10-14)16-13(15)11-7-4-3-5-8-11/h3-5,7-8,10,12H,2,6,9H2,1H3/t12-/m0/s1