2-(4-methylphenyl)-2-methylsulfanyl-ethanoic acid

Systemtic Name: 2-(4-methylphenyl)-2-methylsulfanyl-ethanoic acid Openeye Name: 2-methylsulfanyl-2-(p-tolyl)acetic acid CAS Name: 2-(4-methylphenyl)-2-(methylthio)acetic acid IUPAC Name: 2-(4-methylphenyl)-2-methylsulfanylacetic acid Traditional Name: 2-(methylthio)-2-(p-tolyl)acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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