2,2-dimethyl-1-phenylsulfanyl-octan-3-one

Systemtic Name: 2,2-dimethyl-1-phenylsulfanyl-octan-3-one Openeye Name: 2,2-dimethyl-1-phenylsulfanyl-octan-3-one CAS Name: 2,2-dimethyl-1-(phenylthio)-3-octanone IUPAC Name: 2,2-dimethyl-1-phenylsulfanyloctan-3-one Traditional Name: 2,2-dimethyl-1-(phenylthio)octan-3-one Formula: C16H24OS MolecularWeight: 264.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)(C)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)C(C)(C)CSC1=CC=CC=C1

InChI

InChI=1S/C16H24OS/c1-4-5-7-12-15(17)16(2,3)13-18-14-10-8-6-9-11-14/h6,8-11H,4-5,7,12-13H2,1-3H3