(phenylmethyl) (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate Openeye Name: benzyl (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylic acid benzyl ester Formula: C19H21BrO9 MolecularWeight: 473.26864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)Br)C(=O)OCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)Br)C(=O)OCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C19H21BrO9/c1-10(21)26-14-15(27-11(2)22)17(29-18(20)16(14)28-12(3)23)19(24)25-9-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3/t14-,15-,16+,17-,18-/m0/s1