[5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-(phenylcarbonyloxy)oxan-4-yl] benzoate

Systemtic Name: [5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-(phenylcarbonyloxy)oxan-4-yl] benzoate Openeye Name: [3-acetamido-2-benzoyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-acetamido-2-benzoyloxy-5-hydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [3-acetamido-2-benzoyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate Traditional Name: benzoic acid (3-acetamido-2-benzoyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl) ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(=O)C2=CC=CC=C2)CO)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1C(C(C(OC1OC(=O)C2=CC=CC=C2)CO)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO8/c1-13(25)23-17-19(30-20(27)14-8-4-2-5-9-14)18(26)16(12-24)29-22(17)31-21(28)15-10-6-3-7-11-15/h2-11,16-19,22,24,26H,12H2,1H3,(H,23,25)