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

Systemtic Name: 5-nitro-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid Openeye Name: 5-nitro-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-benzoic acid CAS Name: 5-nitro-2-[(2-oxo-3-oxolanyl)thio]benzoic acid IUPAC Name: 5-nitro-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-ketotetrahydrofuran-3-yl)thio]-5-nitro-benzoic acid Formula: C11H9NO6S MolecularWeight: 283.25726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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