[(2S)-1-oxidanylideneheptan-2-yl] benzoate

Systemtic Name: [(2S)-1-oxidanylideneheptan-2-yl] benzoate Openeye Name: [(1S)-1-formylhexyl] benzoate CAS Name: benzoic acid [(2S)-1-oxoheptan-2-yl] ester IUPAC Name: [(2S)-1-oxoheptan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-formylhexyl] ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-2-3-5-10-13(11-15)17-14(16)12-8-6-4-7-9-12/h4,6-9,11,13H,2-3,5,10H2,1H3/t13-/m0/s1