[(3S,4S,5R)-6-methoxy-5-oxidanyl-6-oxidanylidene-4-(phenylcarbonyloxy)hexan-3-yl] benzoate

Systemtic Name: [(3S,4S,5R)-6-methoxy-5-oxidanyl-6-oxidanylidene-4-(phenylcarbonyloxy)hexan-3-yl] benzoate Openeye Name: [(1S,2S,3R)-2-benzoyloxy-1-ethyl-3-hydroxy-4-methoxy-4-oxo-butyl] benzoate CAS Name: benzoic acid [(3S,4S,5R)-4-benzoyloxy-5-hydroxy-6-methoxy-6-oxohexan-3-yl] ester IUPAC Name: [(3S,4S,5R)-4-benzoyloxy-5-hydroxy-6-methoxy-6-oxohexan-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S,3R)-2-benzoyloxy-1-ethyl-3-hydroxy-4-keto-4-methoxy-butyl] ester Formula: C21H22O7 MolecularWeight: 386.39518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O7/c1-3-16(27-19(23)14-10-6-4-7-11-14)18(17(22)21(25)26-2)28-20(24)15-12-8-5-9-13-15/h4-13,16-18,22H,3H2,1-2H3/t16-,17+,18+/m0/s1