2,6-dimethyl-3-(2-methylpropylsulfanyl)heptan-4-one

Systemtic Name: 2,6-dimethyl-3-(2-methylpropylsulfanyl)heptan-4-one Openeye Name: 3-isobutylsulfanyl-2,6-dimethyl-heptan-4-one CAS Name: 2,6-dimethyl-3-(2-methylpropylthio)-4-heptanone IUPAC Name: 2,6-dimethyl-3-(2-methylpropylsulfanyl)heptan-4-one Traditional Name: 3-(isobutylthio)-2,6-dimethyl-heptan-4-one Formula: C13H26OS MolecularWeight: 230.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(C)C)SCC(C)C

Isomeric SMILES

CC(C)CC(=O)C(C(C)C)SCC(C)C

InChI

InChI=1S/C13H26OS/c1-9(2)7-12(14)13(11(5)6)15-8-10(3)4/h9-11,13H,7-8H2,1-6H3