2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-(m-tolylsulfanylmethyl)phenyl]acetic acid CAS Name: 2-[4-[[(3-methylphenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3-methylphenyl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[(m-tolylthio)methyl]phenyl]acetic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C16H16O2S/c1-12-3-2-4-15(9-12)19-11-14-7-5-13(6-8-14)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)