3-[2-(phenylmethylsulfanyl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethoxy]benzoic acid Openeye Name: 3-(2-benzylsulfanylethoxy)benzoic acid CAS Name: 3-[2-(phenylmethylthio)ethoxy]benzoic acid IUPAC Name: 3-(2-benzylsulfanylethoxy)benzoic acid Traditional Name: 3-[2-(benzylthio)ethoxy]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c17-16(18)14-7-4-8-15(11-14)19-9-10-20-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,17,18)