[(2S,3S,4S,6S)-2-(bromomethyl)-6-methoxy-4-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4S,6S)-2-(bromomethyl)-6-methoxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4S,6S)-2-(bromomethyl)-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,6S)-2-(bromomethyl)-4-hydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,6S)-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,6S)-2-(bromomethyl)-4-hydroxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO5/c1-18-12-7-10(16)13(11(8-15)19-12)20-14(17)9-5-3-2-4-6-9/h2-6,10-13,16H,7-8H2,1H3/t10-,11+,12-,13-/m0/s1