2-methyl-5-phenylsulfanyl-heptan-4-one

Systemtic Name: 2-methyl-5-phenylsulfanyl-heptan-4-one Openeye Name: 2-methyl-5-phenylsulfanyl-heptan-4-one CAS Name: 2-methyl-5-(phenylthio)-4-heptanone IUPAC Name: 2-methyl-5-phenylsulfanylheptan-4-one Traditional Name: 2-methyl-5-(phenylthio)heptan-4-one Formula: C14H20OS MolecularWeight: 236.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20OS/c1-4-14(13(15)10-11(2)3)16-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3