[(3R,4S)-1-methoxy-4-oxidanyl-1-oxidanylidene-pentan-3-yl] benzoate

Systemtic Name: [(3R,4S)-1-methoxy-4-oxidanyl-1-oxidanylidene-pentan-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-hydroxyethyl]-3-methoxy-3-oxo-propyl] benzoate CAS Name: benzoic acid [(3R,4S)-4-hydroxy-1-methoxy-1-oxopentan-3-yl] ester IUPAC Name: [(3R,4S)-4-hydroxy-1-methoxy-1-oxopentan-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1-hydroxyethyl]-3-keto-3-methoxy-propyl] ester Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5/c1-9(14)11(8-12(15)17-2)18-13(16)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3/t9-,11+/m0/s1