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

Systemtic Name: 5-ethyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid Openeye Name: 5-ethyl-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-benzoic acid CAS Name: 5-ethyl-2-[(2-oxo-3-oxolanyl)thio]benzoic acid IUPAC Name: 5-ethyl-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid Traditional Name: 5-ethyl-2-[(2-ketotetrahydrofuran-3-yl)thio]benzoic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)SC2CCOC2=O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)SC2CCOC2=O)C(=O)O

InChI

InChI=1S/C13H14O4S/c1-2-8-3-4-10(9(7-8)12(14)15)18-11-5-6-17-13(11)16/h3-4,7,11H,2,5-6H2,1H3,(H,14,15)