2-phenylsulfanyldecanoic acid

Systemtic Name: 2-phenylsulfanyldecanoic acid Openeye Name: 2-phenylsulfanyldecanoic acid CAS Name: 2-(phenylthio)decanoic acid IUPAC Name: 2-phenylsulfanyldecanoic acid Traditional Name: 2-(phenylthio)capric acid Formula: C16H24O2S MolecularWeight: 280.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(C(=O)O)SC1=CC=CC=C1

InChI

InChI=1S/C16H24O2S/c1-2-3-4-5-6-10-13-15(16(17)18)19-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3,(H,17,18)