[(3S,4R)-4-(3-nitrophenyl)sulfonyloxy-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [(3S,4R)-4-(3-nitrophenyl)sulfonyloxy-1,1-bis(oxidanylidene)thiolan-3-yl] 3-nitrobenzenesulfonate Openeye Name: [(3S,4R)-4-(3-nitrophenyl)sulfonyloxy-1,1-dioxo-thiolan-3-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(3S,4R)-4-(3-nitrophenyl)sulfonyloxy-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S,4R)-4-(3-nitrophenyl)sulfonyloxy-1,1-dioxothiolan-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(3S,4R)-1,1-diketo-4-(3-nitrophenyl)sulfonyloxy-thiolan-3-yl] ester Formula: C16H14N2O12S3 MolecularWeight: 522.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@H](CS1(=O)=O)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O12S3/c19-17(20)11-3-1-5-13(7-11)32(25,26)29-15-9-31(23,24)10-16(15)30-33(27,28)14-6-2-4-12(8-14)18(21)22/h1-8,15-16H,9-10H2/t15-,16+