4-butylsulfanyl-1-phenyl-octan-1-one

Systemtic Name: 4-butylsulfanyl-1-phenyl-octan-1-one Openeye Name: 4-butylsulfanyl-1-phenyl-octan-1-one CAS Name: 4-(butylthio)-1-phenyl-1-octanone IUPAC Name: 4-butylsulfanyl-1-phenyloctan-1-one Traditional Name: 4-(butylthio)-1-phenyl-octan-1-one Formula: C18H28OS MolecularWeight: 292.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)C1=CC=CC=C1)SCCCC

Isomeric SMILES

CCCCC(CCC(=O)C1=CC=CC=C1)SCCCC

InChI

InChI=1S/C18H28OS/c1-3-5-12-17(20-15-6-4-2)13-14-18(19)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3