[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-4-oxidanyl-5-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S,6R)-5-benzyloxy-4-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S,6R)-5-benzoxy-4-hydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24O7/c1-25-21-19(28-20(24)15-10-6-3-7-11-15)17(23)18(16(12-22)27-21)26-13-14-8-4-2-5-9-14/h2-11,16-19,21-23H,12-13H2,1H3/t16-,17+,18-,19-,21+/m1/s1