2-[2-(phenylmethylsulfanyl)ethyl]benzoic acid

Systemtic Name: 2-[2-(phenylmethylsulfanyl)ethyl]benzoic acid Openeye Name: 2-(2-benzylsulfanylethyl)benzoic acid CAS Name: 2-[2-(phenylmethylthio)ethyl]benzoic acid IUPAC Name: 2-(2-benzylsulfanylethyl)benzoic acid Traditional Name: 2-[2-(benzylthio)ethyl]benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16O2S/c17-16(18)15-9-5-4-8-14(15)10-11-19-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,17,18)