[(2S,3R,4R,5R,6R)-5-azido-2-(iodanylmethyl)-3-oxidanyl-6-phenoxy-oxan-4-yl] benzoate

Systemtic Name: [(2S,3R,4R,5R,6R)-5-azido-2-(iodanylmethyl)-3-oxidanyl-6-phenoxy-oxan-4-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6R)-5-azido-3-hydroxy-2-(iodomethyl)-6-phenoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6R)-5-azido-3-hydroxy-2-(iodomethyl)-6-phenoxy-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-5-azido-3-hydroxy-2-(iodomethyl)-6-phenoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6R)-5-azido-3-hydroxy-2-(iodomethyl)-6-phenoxy-tetrahydropyran-4-yl] ester Formula: C19H18IN3O5 MolecularWeight: 495.26779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(OC(C2O)CI)OC3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CI)OC3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C19H18IN3O5/c20-11-14-16(24)17(28-18(25)12-7-3-1-4-8-12)15(22-23-21)19(27-14)26-13-9-5-2-6-10-13/h1-10,14-17,19,24H,11H2/t14-,15-,16+,17-,19+/m1/s1