[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-prop-2-enoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-3-acetamido-2-allyloxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C18H23NO7 MolecularWeight: 365.37772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC=C)CO)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC=C)CO)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23NO7/c1-3-9-24-18-14(19-11(2)21)16(15(22)13(10-20)25-18)26-17(23)12-7-5-4-6-8-12/h3-8,13-16,18,20,22H,1,9-10H2,2H3,(H,19,21)/t13-,14-,15-,16-,18+/m1/s1