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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid Formula: C9H9ClO2S MolecularWeight: 216.68456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)O)Cl

InChI

InChI=1S/C9H9ClO2S/c10-8-3-1-7(2-4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)