3-(3,5-dimethyl-4-sulfanyl-phenyl)propanoic acid

Systemtic Name: 3-(3,5-dimethyl-4-sulfanyl-phenyl)propanoic acid Openeye Name: 3-(3,5-dimethyl-4-sulfanyl-phenyl)propanoic acid CAS Name: 3-(4-mercapto-3,5-dimethylphenyl)propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-sulfanylphenyl)propanoic acid Traditional Name: 3-(4-mercapto-3,5-dimethyl-phenyl)propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S)C)CCC(=O)O

InChI

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