[(3R,4S)-3,4-dimethyl-4-nitro-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate

Systemtic Name: [(3R,4S)-3,4-dimethyl-4-nitro-1,1-bis(oxidanylidene)thiolan-3-yl] benzoate Openeye Name: [(3R,4S)-3,4-dimethyl-4-nitro-1,1-dioxo-thiolan-3-yl] benzoate CAS Name: benzoic acid [(3R,4S)-3,4-dimethyl-4-nitro-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3R,4S)-3,4-dimethyl-4-nitro-1,1-dioxothiolan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S)-1,1-diketo-3,4-dimethyl-4-nitro-thiolan-3-yl] ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)CC1(C)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CS(=O)(=O)C[C@]1(C)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6S/c1-12(14(16)17)8-21(18,19)9-13(12,2)20-11(15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/t12-,13+/m1/s1