3-(2-sulfanylethyl)benzoic acid

Systemtic Name: 3-(2-sulfanylethyl)benzoic acid Openeye Name: 3-(2-sulfanylethyl)benzoic acid CAS Name: 3-(2-mercaptoethyl)benzoic acid IUPAC Name: 3-(2-sulfanylethyl)benzoic acid Traditional Name: 3-(2-mercaptoethyl)benzoic acid Formula: C9H10O2S MolecularWeight: 182.2395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CCS)C(=O)O

InChI

InChI=1S/C9H10O2S/c10-9(11)8-3-1-2-7(6-8)4-5-12/h1-3,6,12H,4-5H2,(H,10,11)