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

Systemtic Name: [(1S,4R,5S,6R,7R)-6-methylsulfonyloxy-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-7-yl] methanesulfonate Openeye Name: [(1S,4R,5S,6R,7R)-6-methylsulfonyloxy-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-7-yl] methanesulfonate CAS Name: methanesulfonic acid [(1S,4R,5S,6R,7R)-6-methylsulfonyloxy-4-[(4-nitrophenyl)thio]-8-oxa-3-thiabicyclo[3.2.1]octan-7-yl] ester IUPAC Name: [(1S,4R,5S,6R,7R)-6-methylsulfonyloxy-4-(4-nitrophenyl)sulfanyl-8-oxa-3-thiabicyclo[3.2.1]octan-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,4R,5S,6R,7R)-6-methylsulfonyloxy-4-[(4-nitrophenyl)thio]-8-oxa-3-thiabicyclo[3.2.1]octan-7-yl] ester Formula: C14H17NO9S4 MolecularWeight: 471.54608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C2CSC(C(C1OS(=O)(=O)C)O2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO9S4/c1-27(18,19)23-11-10-7-25-14(13(22-10)12(11)24-28(2,20)21)26-9-5-3-8(4-6-9)15(16)17/h3-6,10-14H,7H2,1-2H3/t10-,11-,12+,13+,14-/m1/s1