[(2R)-1-oxidanylidenehexan-2-yl] benzoate

Systemtic Name: [(2R)-1-oxidanylidenehexan-2-yl] benzoate Openeye Name: [(1R)-1-formylpentyl] benzoate CAS Name: benzoic acid [(2R)-1-oxohexan-2-yl] ester IUPAC Name: [(2R)-1-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-formylpentyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-2-3-9-12(10-14)16-13(15)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3/t12-/m1/s1