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

Systemtic Name: 5-methyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-benzoic acid Openeye Name: 5-methyl-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-benzoic acid CAS Name: 5-methyl-2-[(2-oxo-3-oxolanyl)thio]benzoic acid IUPAC Name: 5-methyl-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(2-ketotetrahydrofuran-3-yl)thio]-5-methyl-benzoic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2CCOC2=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC2CCOC2=O)C(=O)O

InChI

InChI=1S/C12H12O4S/c1-7-2-3-9(8(6-7)11(13)14)17-10-4-5-16-12(10)15/h2-3,6,10H,4-5H2,1H3,(H,13,14)