2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-(phenylmethylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-5-methyl-phenyl)acetic acid CAS Name: 2-[5-methyl-2-(phenylmethylthio)phenyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-5-methylphenyl)acetic acid Traditional Name: 2-[2-(benzylthio)-5-methyl-phenyl]acetic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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