[(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-prop-2-ynoxy-oxolan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-prop-2-ynoxy-oxolan-3-yl] benzoate Openeye Name: [(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-prop-2-ynoxy-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-prop-2-ynoxy-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-prop-2-ynoxyoxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-2-(azidomethyl)-4-methoxy-5-propargyloxy-tetrahydrofuran-3-yl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1OCC#C)CN=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-3-9-22-16-14(21-2)13(12(23-16)10-18-19-17)24-15(20)11-7-5-4-6-8-11/h1,4-8,12-14,16H,9-10H2,2H3/t12-,13-,14-,16-/m1/s1