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

Systemtic Name: [(3S,4S,5R,6S)-5-acetyloxy-4-oxidanyl-6-prop-2-enoxy-oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6S)-5-acetoxy-6-allyloxy-4-hydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6S)-5-acetyloxy-4-hydroxy-6-prop-2-enoxy-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6S)-5-acetyloxy-4-hydroxy-6-prop-2-enoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6S)-5-acetoxy-6-allyloxy-4-hydroxy-tetrahydropyran-3-yl] ester Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(COC1OCC=C)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@H](CO[C@@H]1OCC=C)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H20O7/c1-3-9-21-17-15(23-11(2)18)14(19)13(10-22-17)24-16(20)12-7-5-4-6-8-12/h3-8,13-15,17,19H,1,9-10H2,2H3/t13-,14-,15+,17-/m0/s1