phenyl (3R,4R)-3,4-dimethyl-4-nitro-1,1-bis(oxidanylidene)thiolane-3-carboxylate

Systemtic Name: phenyl (3R,4R)-3,4-dimethyl-4-nitro-1,1-bis(oxidanylidene)thiolane-3-carboxylate Openeye Name: phenyl (3R,4R)-3,4-dimethyl-4-nitro-1,1-dioxo-thiolane-3-carboxylate CAS Name: (3R,4R)-3,4-dimethyl-4-nitro-1,1-dioxo-3-thiolanecarboxylic acid phenyl ester IUPAC Name: phenyl (3R,4R)-3,4-dimethyl-4-nitro-1,1-dioxothiolane-3-carboxylate Traditional Name: (3R,4R)-1,1-diketo-3,4-dimethyl-4-nitro-thiolane-3-carboxylic acid phenyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CS(=O)(=O)CC1(C)[N+](=O)[O-])C(=O)OC2=CC=CC=C2

Isomeric SMILES

C[C@]1(CS(=O)(=O)C[C@]1(C)[N+](=O)[O-])C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H15NO6S/c1-12(11(15)20-10-6-4-3-5-7-10)8-21(18,19)9-13(12,2)14(16)17/h3-7H,8-9H2,1-2H3/t12-,13-/m0/s1