4-nitro-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid

Systemtic Name: 4-nitro-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid Openeye Name: 4-nitro-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-benzoic acid CAS Name: 4-nitro-2-[(2-oxo-3-oxolanyl)thio]benzoic acid IUPAC Name: 4-nitro-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-ketotetrahydrofuran-3-yl)thio]-4-nitro-benzoic acid Formula: C11H9NO6S MolecularWeight: 283.25726

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COC(=O)C1SC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9NO6S/c13-10(14)7-2-1-6(12(16)17)5-9(7)19-8-3-4-18-11(8)15/h1-2,5,8H,3-4H2,(H,13,14)