[(2S,3S,4S,5S,6S)-4-acetyloxy-5-azido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4S,5S,6S)-4-acetyloxy-5-azido-2-(bromomethyl)-6-methoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4S,5S,6S)-4-acetoxy-5-azido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4S,5S,6S)-4-acetyloxy-5-azido-2-(bromomethyl)-6-methoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5S,6S)-4-acetyloxy-5-azido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4S,5S,6S)-4-acetoxy-5-azido-2-(bromomethyl)-6-methoxy-tetrahydropyran-3-yl] ester Formula: C16H18BrN3O6 MolecularWeight: 428.23462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)CBr)OC)N=[N+]=[N-]

Isomeric SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)CBr)OC)N=[N+]=[N-]

InChI

InChI=1S/C16H18BrN3O6/c1-9(21)24-14-12(19-20-18)16(23-2)25-11(8-17)13(14)26-15(22)10-6-4-3-5-7-10/h3-7,11-14,16H,8H2,1-2H3/t11-,12+,13-,14+,16+/m1/s1