[(2S,3R,4R,5R)-5-iodanyl-2-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R)-5-iodanyl-2-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5R)-3-benzoyloxy-5-iodo-2-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R)-3-benzoyloxy-5-iodo-2-methoxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R)-3-benzoyloxy-5-iodo-2-methoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R)-3-benzoyloxy-5-iodo-2-methoxy-tetrahydropyran-4-yl] ester Formula: C20H19IO6 MolecularWeight: 482.26573

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(CO1)I)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19IO6/c1-24-20-17(27-19(23)14-10-6-3-7-11-14)16(15(21)12-25-20)26-18(22)13-8-4-2-5-9-13/h2-11,15-17,20H,12H2,1H3/t15-,16+,17-,20+/m1/s1