3-[2-(2-methylsulfanylethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-methylsulfanylethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-methylsulfanylethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(methylthio)ethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-methylsulfanylethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(methylthio)ethyl]phenyl]propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CSCCC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C12H16O2S/c1-15-9-8-11-5-3-2-4-10(11)6-7-12(13)14/h2-5H,6-9H2,1H3,(H,13,14)