2-[4-(2-sulfanylethyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(2-sulfanylethyl)phenyl]ethanoic acid Openeye Name: 2-[4-(2-sulfanylethyl)phenyl]acetic acid CAS Name: 2-[4-(2-mercaptoethyl)phenyl]acetic acid IUPAC Name: 2-[4-(2-sulfanylethyl)phenyl]acetic acid Traditional Name: 2-[4-(2-mercaptoethyl)phenyl]acetic acid Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCS)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCS)CC(=O)O

InChI

InChI=1S/C10H12O2S/c11-10(12)7-9-3-1-8(2-4-9)5-6-13/h1-4,13H,5-7H2,(H,11,12)