1-hexylsulfanyl-5,5-dimethyl-hexane-2,4-dione

Systemtic Name: 1-hexylsulfanyl-5,5-dimethyl-hexane-2,4-dione Openeye Name: 1-hexylsulfanyl-5,5-dimethyl-hexane-2,4-dione CAS Name: 1-(hexylthio)-5,5-dimethylhexane-2,4-dione IUPAC Name: 1-hexylsulfanyl-5,5-dimethylhexane-2,4-dione Traditional Name: 1-(hexylthio)-5,5-dimethyl-hexane-2,4-dione Formula: C14H26O2S MolecularWeight: 258.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(=O)CC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCSCC(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C14H26O2S/c1-5-6-7-8-9-17-11-12(15)10-13(16)14(2,3)4/h5-11H2,1-4H3