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

Systemtic Name: [(2S,3R,4S,5S)-5-acetyloxy-2-methoxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S)-5-acetoxy-4-hydroxy-2-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S)-5-acetyloxy-4-hydroxy-2-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-5-acetyloxy-4-hydroxy-2-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S)-5-acetoxy-4-hydroxy-2-methoxy-tetrahydropyran-3-yl] ester Formula: C15H18O7 MolecularWeight: 310.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1O)OC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18O7/c1-9(16)21-11-8-20-15(19-2)13(12(11)17)22-14(18)10-6-4-3-5-7-10/h3-7,11-13,15,17H,8H2,1-2H3/t11-,12-,13+,15-/m0/s1