[(2S,3R,4S,5S,6R)-2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5S,6R)-2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]-4,5-bis(oxidanyl)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-methoxy-6-(p-tolylsulfonyloxymethyl)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-methoxy-6-(tosyloxymethyl)tetrahydropyran-3-yl] ester Formula: C21H24O9S MolecularWeight: 452.47486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)OC(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C21H24O9S/c1-13-8-10-15(11-9-13)31(25,26)28-12-16-17(22)18(23)19(21(27-2)29-16)30-20(24)14-6-4-3-5-7-14/h3-11,16-19,21-23H,12H2,1-2H3/t16-,17-,18+,19-,21+/m1/s1