3-methylsulfanyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)benzoic acid

Systemtic Name: 3-methylsulfanyl-2-(4-oxidanyl-4-oxidanylidene-butoxy)benzoic acid Openeye Name: 2-(4-hydroxy-4-oxo-butoxy)-3-methylsulfanyl-benzoic acid CAS Name: 2-(4-hydroxy-4-oxobutoxy)-3-(methylthio)benzoic acid IUPAC Name: 2-(4-hydroxy-4-oxobutoxy)-3-methylsulfanylbenzoic acid Traditional Name: 2-(4-hydroxy-4-keto-butoxy)-3-(methylthio)benzoic acid Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1OCCCC(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1OCCCC(=O)O)C(=O)O

InChI

InChI=1S/C12H14O5S/c1-18-9-5-2-4-8(12(15)16)11(9)17-7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14)(H,15,16)