[(3R,4S,5R,6S)-4-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-3-yl] benzoate

Systemtic Name: [(3R,4S,5R,6S)-4-oxidanyl-5-(phenylcarbonyloxy)-6-prop-2-enoxy-oxan-3-yl] benzoate Openeye Name: [(3R,4S,5R,6S)-6-allyloxy-5-benzoyloxy-4-hydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4S,5R,6S)-5-benzoyloxy-4-hydroxy-6-prop-2-enoxy-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-5-benzoyloxy-4-hydroxy-6-prop-2-enoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5R,6S)-6-allyloxy-5-benzoyloxy-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C22H22O7 MolecularWeight: 398.40588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCO[C@@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O7/c1-2-13-26-22-19(29-21(25)16-11-7-4-8-12-16)18(23)17(14-27-22)28-20(24)15-9-5-3-6-10-15/h2-12,17-19,22-23H,1,13-14H2/t17-,18+,19-,22+/m1/s1