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

Systemtic Name: [(2S,3R,4S,5S)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl] 4-methoxybenzoate Openeye Name: [(2S,3R,4S,5S)-4,5-dihydroxy-2-methoxy-tetrahydropyran-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,3R,4S,5S)-4,5-dihydroxy-2-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,3R,4S,5S)-4,5-dihydroxy-2-methoxy-tetrahydropyran-3-yl] ester Formula: C14H18O7 MolecularWeight: 298.28852

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(CO1)O)O)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H18O7/c1-18-9-5-3-8(4-6-9)13(17)21-12-11(16)10(15)7-20-14(12)19-2/h3-6,10-12,14-16H,7H2,1-2H3/t10-,11-,12+,14-/m0/s1