3-(3,5-dimethylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(3,5-dimethylphenyl)sulfanylpropanoic acid Openeye Name: 3-(3,5-dimethylphenyl)sulfanylpropanoic acid CAS Name: 3-[(3,5-dimethylphenyl)thio]propanoic acid IUPAC Name: 3-(3,5-dimethylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(3,5-dimethylphenyl)thio]propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8-5-9(2)7-10(6-8)14-4-3-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)