1-[4-(4-phenylbutylsulfanyl)phenyl]ethanone

Systemtic Name: 1-[4-(4-phenylbutylsulfanyl)phenyl]ethanone Openeye Name: 1-[4-(4-phenylbutylsulfanyl)phenyl]ethanone CAS Name: 1-[4-(4-phenylbutylthio)phenyl]ethanone IUPAC Name: 1-[4-(4-phenylbutylsulfanyl)phenyl]ethanone Traditional Name: 1-[4-(4-phenylbutylthio)phenyl]ethanone Formula: C18H20OS MolecularWeight: 284.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SCCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SCCCCC2=CC=CC=C2

InChI

InChI=1S/C18H20OS/c1-15(19)17-10-12-18(13-11-17)20-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14H2,1H3