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

Systemtic Name: [(2S,3R,4R,5R,6S)-6-azido-2-methyl-4-oxidanyl-5-sulfooxy-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6S)-6-azido-4-hydroxy-2-methyl-5-sulfooxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6S)-6-azido-4-hydroxy-2-methyl-5-sulfooxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6S)-6-azido-4-hydroxy-2-methyl-5-sulfooxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6S)-6-azido-4-hydroxy-2-methyl-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C13H15N3O8S MolecularWeight: 373.3385

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)N=[N+]=[N-])OS(=O)(=O)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)N=[N+]=[N-])OS(=O)(=O)O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O8S/c1-7-10(23-13(18)8-5-3-2-4-6-8)9(17)11(24-25(19,20)21)12(22-7)15-16-14/h2-7,9-12,17H,1H3,(H,19,20,21)/t7-,9+,10-,11+,12-/m0/s1