[(2S,3R)-2-oxidanylhex-5-en-3-yl] benzoate

Systemtic Name: [(2S,3R)-2-oxidanylhex-5-en-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-hydroxyethyl]but-3-enyl] benzoate CAS Name: benzoic acid [(2S,3R)-2-hydroxyhex-5-en-3-yl] ester IUPAC Name: [(2S,3R)-2-hydroxyhex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1-hydroxyethyl]but-3-enyl] ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-3-7-12(10(2)14)16-13(15)11-8-5-4-6-9-11/h3-6,8-10,12,14H,1,7H2,2H3/t10-,12+/m0/s1