[(1S,4R,5R,6S,7R)-7-azido-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] methanesulfonate

Systemtic Name: [(1S,4R,5R,6S,7R)-7-azido-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] methanesulfonate Openeye Name: [(1S,4R,5R,6S,7R)-7-azido-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] methanesulfonate CAS Name: methanesulfonic acid [(1S,4R,5R,6S,7R)-7-azido-4-[(4-nitrophenyl)thio]-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] ester IUPAC Name: [(1S,4R,5R,6S,7R)-7-azido-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,4R,5R,6S,7R)-7-azido-4-[(4-nitrophenyl)thio]-8-oxa-3-thiabicyclo[3.2.1]octan-6-yl] ester Formula: C13H14N4O6S3 MolecularWeight: 418.46846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(C2CSC(C1O2)SC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)O[C@H]1[C@@H]([C@H]2CS[C@@H]([C@@H]1O2)SC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C13H14N4O6S3/c1-26(20,21)23-11-10(15-16-14)9-6-24-13(12(11)22-9)25-8-4-2-7(3-5-8)17(18)19/h2-5,9-13H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1