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

Systemtic Name: 3-[2-(sulfanylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(sulfanylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(mercaptomethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(sulfanylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(mercaptomethyl)phenyl]propionic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S/c11-10(12)6-5-8-3-1-2-4-9(8)7-13/h1-4,13H,5-7H2,(H,11,12)