3-[4-(2-methylsulfanyl-1-oxidanyl-ethyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-methylsulfanyl-1-oxidanyl-ethyl)phenyl]propanoic acid Openeye Name: 3-[4-(1-hydroxy-2-methylsulfanyl-ethyl)phenyl]propanoic acid CAS Name: 3-[4-[1-hydroxy-2-(methylthio)ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(1-hydroxy-2-methylsulfanylethyl)phenyl]propanoic acid Traditional Name: 3-[4-[1-hydroxy-2-(methylthio)ethyl]phenyl]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C1=CC=C(C=C1)CCC(=O)O)O

Isomeric SMILES

CSCC(C1=CC=C(C=C1)CCC(=O)O)O

InChI

InChI=1S/C12H16O3S/c1-16-8-11(13)10-5-2-9(3-6-10)4-7-12(14)15/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,14,15)