[(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl] 3-nitrobenzenesulfonate Openeye Name: [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl] ester IUPAC Name: [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(3S)-1,1-diketo-2,3-dihydrothiophen-3-yl] ester Formula: C10H9NO7S2 MolecularWeight: 319.31096

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO7S2/c12-11(13)8-2-1-3-10(6-8)20(16,17)18-9-4-5-19(14,15)7-9/h1-6,9H,7H2/t9-/m0/s1