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

Systemtic Name: [(2S,3S,4R,5R,6S)-4-acetyloxy-2-(bromomethyl)-6-methoxy-5-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6S)-4-acetoxy-2-(bromomethyl)-5-hydroxy-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6S)-4-acetyloxy-2-(bromomethyl)-5-hydroxy-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-4-acetyloxy-2-(bromomethyl)-5-hydroxy-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6S)-4-acetoxy-2-(bromomethyl)-5-hydroxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C16H19BrO7 MolecularWeight: 403.22186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO7/c1-9(18)22-14-12(19)16(21-2)23-11(8-17)13(14)24-15(20)10-6-4-3-5-7-10/h3-7,11-14,16,19H,8H2,1-2H3/t11-,12-,13-,14-,16+/m1/s1