[(1R,2S,5S,6S)-2-acetyloxy-6-benzamido-5-oxidanyl-3-oxidanylidene-cyclohexyl] ethanoate

Systemtic Name: [(1R,2S,5S,6S)-2-acetyloxy-6-benzamido-5-oxidanyl-3-oxidanylidene-cyclohexyl] ethanoate Openeye Name: [(1R,2S,5S,6S)-2-acetoxy-6-benzamido-5-hydroxy-3-oxo-cyclohexyl] acetate CAS Name: acetic acid [(1R,2S,5S,6S)-2-acetyloxy-6-benzamido-5-hydroxy-3-oxocyclohexyl] ester IUPAC Name: [(1R,2S,5S,6S)-2-acetyloxy-6-benzamido-5-hydroxy-3-oxocyclohexyl] acetate Traditional Name: acetic acid [(1R,2S,5S,6S)-2-acetoxy-6-benzamido-5-hydroxy-3-keto-cyclohexyl] ester Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(CC(=O)C1OC(=O)C)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-9(19)24-15-13(22)8-12(21)14(16(15)25-10(2)20)18-17(23)11-6-4-3-5-7-11/h3-7,12,14-16,21H,8H2,1-2H3,(H,18,23)/t12-,14-,15+,16+/m0/s1