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

Systemtic Name: [(3S,4S,5R,6R)-2-acetyloxy-6-(acetyloxymethyl)-4-methoxy-5-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6R)-2-acetoxy-6-(acetoxymethyl)-5-hydroxy-4-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6R)-2-acetyloxy-6-(acetyloxymethyl)-5-hydroxy-4-methoxy-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-2-acetyloxy-6-(acetyloxymethyl)-5-hydroxy-4-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6R)-2-acetoxy-6-(acetoxymethyl)-5-hydroxy-4-methoxy-tetrahydropyran-3-yl] ester Formula: C18H22O9 MolecularWeight: 382.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C2=CC=CC=C2)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22O9/c1-10(19)24-9-13-14(21)15(23-3)16(18(26-13)25-11(2)20)27-17(22)12-7-5-4-6-8-12/h4-8,13-16,18,21H,9H2,1-3H3/t13-,14-,15+,16+,18?/m1/s1