4,5-dimethoxy-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid Openeye Name: 4,5-dimethoxy-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-benzoic acid CAS Name: 4,5-dimethoxy-2-[(2-oxo-3-oxolanyl)thio]benzoic acid IUPAC Name: 4,5-dimethoxy-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-ketotetrahydrofuran-3-yl)thio]-4,5-dimethoxy-benzoic acid Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)SC2CCOC2=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)SC2CCOC2=O)OC

InChI

InChI=1S/C13H14O6S/c1-17-8-5-7(12(14)15)11(6-9(8)18-2)20-10-3-4-19-13(10)16/h5-6,10H,3-4H2,1-2H3,(H,14,15)