[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(3R,5S)-5-methyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3R,5S)-5-methyl-2-oxooxolan-3-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(3R,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl] ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO6S/c1-7-5-10(13(16)19-7)20-12(15)8-3-4-11(21-2)9(6-8)14(17)18/h3-4,6-7,10H,5H2,1-2H3/t7-,10+/m0/s1