[(2S)-1-methoxy-5-oxidanyl-1-oxidanylidene-pentan-2-yl] benzoate

Systemtic Name: [(2S)-1-methoxy-5-oxidanyl-1-oxidanylidene-pentan-2-yl] benzoate Openeye Name: [(1S)-4-hydroxy-1-methoxycarbonyl-butyl] benzoate CAS Name: benzoic acid [(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl] ester IUPAC Name: [(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-carbomethoxy-4-hydroxy-butyl] ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-17-13(16)11(8-5-9-14)18-12(15)10-6-3-2-4-7-10/h2-4,6-7,11,14H,5,8-9H2,1H3/t11-/m0/s1