[(2S,3R)-1,2-bis(oxidanyl)hex-5-en-3-yl] benzoate

Systemtic Name: [(2S,3R)-1,2-bis(oxidanyl)hex-5-en-3-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1,2-dihydroxyethyl]but-3-enyl] benzoate CAS Name: benzoic acid [(2S,3R)-1,2-dihydroxyhex-5-en-3-yl] ester IUPAC Name: [(2S,3R)-1,2-dihydroxyhex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-1,2-dihydroxyethyl]but-3-enyl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-2-6-12(11(15)9-14)17-13(16)10-7-4-3-5-8-10/h2-5,7-8,11-12,14-15H,1,6,9H2/t11-,12+/m0/s1