[5-acetyloxy-4-azido-2-(hydroxymethyl)-6-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [5-acetyloxy-4-azido-2-(hydroxymethyl)-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [5-acetoxy-4-azido-2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-acetyloxy-4-azido-2-(hydroxymethyl)-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [5-acetyloxy-4-azido-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [5-acetoxy-4-azido-2-methylol-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)CO)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC1C(C(C(OC1SC2=CC=CC=C2)CO)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C21H21N3O6S/c1-13(26)28-19-17(23-24-22)18(30-20(27)14-8-4-2-5-9-14)16(12-25)29-21(19)31-15-10-6-3-7-11-15/h2-11,16-19,21,25H,12H2,1H3