3-(3,4-dimethylphenyl)-2-sulfanyl-propanoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)-2-sulfanyl-propanoic acid Openeye Name: 3-(3,4-dimethylphenyl)-2-sulfanyl-propanoic acid CAS Name: 3-(3,4-dimethylphenyl)-2-mercaptopropanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)-2-sulfanylpropanoic acid Traditional Name: 3-(3,4-dimethylphenyl)-2-mercapto-propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-7-3-4-9(5-8(7)2)6-10(14)11(12)13/h3-5,10,14H,6H2,1-2H3,(H,12,13)