[(1R,2S,3S,4R,5S)-3-azido-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S,3S,4R,5S)-3-azido-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S,3S,4R,5S)-3-azido-2-benzyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S,3S,4R,5S)-3-azido-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester IUPAC Name: [(1R,2S,3S,4R,5S)-3-azido-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S,3S,4R,5S)-3-azido-2-benzoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)OCC4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@H]2O3)OCC4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C20H21N3O6S/c1-13-7-9-15(10-8-13)30(24,25)29-19-17(22-23-21)18(16-12-27-20(19)28-16)26-11-14-5-3-2-4-6-14/h2-10,16-20H,11-12H2,1H3/t16-,17+,18-,19-,20+/m1/s1