[(2S,3S,4S,5S,6S)-2-(bromomethyl)-4-ethenyl-6-methoxy-5-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4S,5S,6S)-2-(bromomethyl)-4-ethenyl-6-methoxy-5-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4S,5S,6S)-2-(bromomethyl)-5-hydroxy-6-methoxy-4-vinyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5S,6S)-2-(bromomethyl)-4-ethenyl-5-hydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5S,6S)-2-(bromomethyl)-4-ethenyl-5-hydroxy-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5S,6S)-2-(bromomethyl)-5-hydroxy-6-methoxy-4-vinyl-tetrahydropyran-3-yl] ester Formula: C16H19BrO5 MolecularWeight: 371.22306

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)C=C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO5/c1-3-11-13(18)16(20-2)21-12(9-17)14(11)22-15(19)10-7-5-4-6-8-10/h3-8,11-14,16,18H,1,9H2,2H3/t11-,12+,13-,14-,16-/m0/s1