[(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 2-acetamidobenzoate

Systemtic Name: [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 2-acetamidobenzoate Openeye Name: [(2S,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] 2-acetamidobenzoate CAS Name: 2-acetamidobenzoic acid [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 2-acetamidobenzoate Traditional Name: 2-acetamidobenzoic acid [(2S,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl] ester Formula: C21H25NO10 MolecularWeight: 451.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C(=O)OC2CC(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C(=O)O[C@H]2C[C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H25NO10/c1-11(23)22-16-8-6-5-7-15(16)21(27)32-19-9-17(29-13(3)25)20(30-14(4)26)18(31-19)10-28-12(2)24/h5-8,17-20H,9-10H2,1-4H3,(H,22,23)/t17-,18-,19+,20+/m1/s1