1-phenyl-4-phenylsulfanyl-octan-1-one

Systemtic Name: 1-phenyl-4-phenylsulfanyl-octan-1-one Openeye Name: 1-phenyl-4-phenylsulfanyl-octan-1-one CAS Name: 1-phenyl-4-(phenylthio)-1-octanone IUPAC Name: 1-phenyl-4-phenylsulfanyloctan-1-one Traditional Name: 1-phenyl-4-(phenylthio)octan-1-one Formula: C20H24OS MolecularWeight: 312.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCC(CCC(=O)C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C20H24OS/c1-2-3-12-19(22-18-13-8-5-9-14-18)15-16-20(21)17-10-6-4-7-11-17/h4-11,13-14,19H,2-3,12,15-16H2,1H3