[(2S,3R,4R,5R,6R)-5-iodanyl-2-methoxy-6-methyl-3-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R,6R)-5-iodanyl-2-methoxy-6-methyl-3-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6R)-3-benzoyloxy-5-iodo-2-methoxy-6-methyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6R)-3-benzoyloxy-5-iodo-2-methoxy-6-methyl-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-3-benzoyloxy-5-iodo-2-methoxy-6-methyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6R)-3-benzoyloxy-5-iodo-2-methoxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C21H21IO6 MolecularWeight: 496.29231

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)I

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)I

InChI

InChI=1S/C21H21IO6/c1-13-16(22)17(27-19(23)14-9-5-3-6-10-14)18(21(25-2)26-13)28-20(24)15-11-7-4-8-12-15/h3-13,16-18,21H,1-2H3/t13-,16-,17+,18-,21+/m1/s1