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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-(p-tolylmethylsulfanyl)acetic acid CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S/c1-8-2-4-9(5-3-8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)