2-(4-methylphenyl)-2-sulfanyl-propanoic acid

Systemtic Name: 2-(4-methylphenyl)-2-sulfanyl-propanoic acid Openeye Name: 2-(p-tolyl)-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-2-(4-methylphenyl)propanoic acid IUPAC Name: 2-(4-methylphenyl)-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-2-(p-tolyl)propionic 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/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)