(5-methyl-2-oxidanylidene-oxolan-3-yl) 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 5-methylsulfanyl-2-nitro-benzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid (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=C(C=CC(=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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