4-phenyl-3-phenylsulfanyl-butanoic acid

Systemtic Name: 4-phenyl-3-phenylsulfanyl-butanoic acid Openeye Name: 4-phenyl-3-phenylsulfanyl-butanoic acid CAS Name: 4-phenyl-3-(phenylthio)butanoic acid IUPAC Name: 4-phenyl-3-phenylsulfanylbutanoic acid Traditional Name: 4-phenyl-3-(phenylthio)butyric acid Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)O)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)O)SC2=CC=CC=C2

InChI

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