2-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(3,5-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3,5-dimethylbenzyl)thio]propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-8-4-9(2)6-11(5-8)7-15-10(3)12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)