2-(2-hexylsulfanylphenyl)propanoic acid

Systemtic Name: 2-(2-hexylsulfanylphenyl)propanoic acid Openeye Name: 2-(2-hexylsulfanylphenyl)propanoic acid CAS Name: 2-[2-(hexylthio)phenyl]propanoic acid IUPAC Name: 2-(2-hexylsulfanylphenyl)propanoic acid Traditional Name: 2-[2-(hexylthio)phenyl]propionic acid Formula: C15H22O2S MolecularWeight: 266.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC=C1C(C)C(=O)O

Isomeric SMILES

CCCCCCSC1=CC=CC=C1C(C)C(=O)O

InChI

InChI=1S/C15H22O2S/c1-3-4-5-8-11-18-14-10-7-6-9-13(14)12(2)15(16)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,16,17)