[(2S,4S,5S,6R)-4,5-diacetyloxy-6-bromanyl-oxan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S,5S,6R)-4,5-diacetyloxy-6-bromanyl-oxan-2-yl]methyl benzoate Openeye Name: [(2S,4S,5S,6R)-4,5-diacetoxy-6-bromo-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S,5S,6R)-4,5-diacetyloxy-6-bromo-2-oxanyl]methyl ester IUPAC Name: [(2S,4S,5S,6R)-4,5-diacetyloxy-6-bromooxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S,5S,6R)-4,5-diacetoxy-6-bromo-tetrahydropyran-2-yl]methyl ester Formula: C17H19BrO7 MolecularWeight: 415.23256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC(C1OC(=O)C)Br)COC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO7/c1-10(19)23-14-8-13(25-16(18)15(14)24-11(2)20)9-22-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-9H2,1-2H3/t13-,14-,15-,16-/m0/s1