[(2S,3R,4R,5S,6R)-4,5-diazido-6-carbonochloridoyloxy-2-ethylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4R,5S,6R)-4,5-diazido-6-carbonochloridoyloxy-2-ethylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5S,6R)-4,5-diazido-6-chlorocarbonyloxy-2-ethylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-4,5-diazido-6-carbonochloridoyloxy-2-(ethylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-4,5-diazido-6-carbonochloridoyloxy-2-ethylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5S,6R)-4,5-diazido-6-chlorocarbonyloxy-2-(ethylthio)tetrahydropyran-3-yl] ester Formula: C15H15ClN6O5S MolecularWeight: 426.8348

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)OC(=O)Cl)N=[N+]=[N-])N=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN6O5S/c1-2-28-14-11(25-12(23)8-6-4-3-5-7-8)9(19-21-17)10(20-22-18)13(26-14)27-15(16)24/h3-7,9-11,13-14H,2H2,1H3/t9-,10+,11-,13-,14+/m1/s1