[(3S,4S)-3,4-bis(oxidanyl)-6-(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [(3S,4S)-3,4-bis(oxidanyl)-6-(phenylcarbonyloxy)hexyl] benzoate Openeye Name: [(3S,4S)-6-benzoyloxy-3,4-dihydroxy-hexyl] benzoate CAS Name: benzoic acid [(3S,4S)-6-benzoyloxy-3,4-dihydroxyhexyl] ester IUPAC Name: [(3S,4S)-6-benzoyloxy-3,4-dihydroxyhexyl] benzoate Traditional Name: benzoic acid [(3S,4S)-6-benzoyloxy-3,4-dihydroxy-hexyl] ester Formula: C20H22O6 MolecularWeight: 358.38508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC(C(CCOC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC[C@@H]([C@H](CCOC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C20H22O6/c21-17(11-13-25-19(23)15-7-3-1-4-8-15)18(22)12-14-26-20(24)16-9-5-2-6-10-16/h1-10,17-18,21-22H,11-14H2/t17-,18-/m0/s1