[(2S,4S,5R)-2-cyano-5-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [(2S,4S,5R)-2-cyano-5-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,4S,5R)-5-benzoyloxy-2-cyano-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,4S,5R)-5-benzoyloxy-2-cyano-4-oxanyl] ester IUPAC Name: [(2S,4S,5R)-5-benzoyloxy-2-cyanooxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,4S,5R)-5-benzoyloxy-2-cyano-tetrahydropyran-4-yl] ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1[C@H](OC[C@H]([C@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17NO5/c21-12-16-11-17(25-19(22)14-7-3-1-4-8-14)18(13-24-16)26-20(23)15-9-5-2-6-10-15/h1-10,16-18H,11,13H2/t16-,17-,18+/m0/s1