2-(2,5-dimethylphenyl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-(2,5-dimethylphenyl)-2-sulfanyl-ethanoic acid Openeye Name: 2-(2,5-dimethylphenyl)-2-sulfanyl-acetic acid CAS Name: 2-(2,5-dimethylphenyl)-2-mercaptoacetic acid IUPAC Name: 2-(2,5-dimethylphenyl)-2-sulfanylacetic acid Traditional Name: 2-(2,5-dimethylphenyl)-2-mercapto-acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S/c1-6-3-4-7(2)8(5-6)9(13)10(11)12/h3-5,9,13H,1-2H3,(H,11,12)