[(1R,2S)-2,3-bis(oxidanyl)-1-phenyl-propyl] benzoate

Systemtic Name: [(1R,2S)-2,3-bis(oxidanyl)-1-phenyl-propyl] benzoate Openeye Name: [(1R,2S)-2,3-dihydroxy-1-phenyl-propyl] benzoate CAS Name: benzoic acid [(1R,2S)-2,3-dihydroxy-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2,3-dihydroxy-1-phenylpropyl] benzoate Traditional Name: benzoic acid [(1R,2S)-2,3-dihydroxy-1-phenyl-propyl] ester Formula: C16H16O4 MolecularWeight: 272.29584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O4/c17-11-14(18)15(12-7-3-1-4-8-12)20-16(19)13-9-5-2-6-10-13/h1-10,14-15,17-18H,11H2/t14-,15+/m0/s1