[(3S)-2-oxidanylideneoxolan-3-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)O[C@H]2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO6S/c1-20-10-3-2-7(6-8(10)13(16)17)11(14)19-9-4-5-18-12(9)15/h2-3,6,9H,4-5H2,1H3/t9-/m0/s1