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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3,5-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(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)CSCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-9-5-10(2)7-11(6-9)8-15-4-3-12(13)14/h5-7H,3-4,8H2,1-2H3,(H,13,14)