1-(2-methyl-1,3-dithiolan-2-yl)octan-3-one

Systemtic Name: 1-(2-methyl-1,3-dithiolan-2-yl)octan-3-one Openeye Name: 1-(2-methyl-1,3-dithiolan-2-yl)octan-3-one CAS Name: 1-(2-methyl-1,3-dithiolan-2-yl)-3-octanone IUPAC Name: 1-(2-methyl-1,3-dithiolan-2-yl)octan-3-one Traditional Name: 1-(2-methyl-1,3-dithiolan-2-yl)octan-3-one Formula: C12H22OS2 MolecularWeight: 246.43248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCC1(SCCS1)C

Isomeric SMILES

CCCCCC(=O)CCC1(SCCS1)C

InChI

InChI=1S/C12H22OS2/c1-3-4-5-6-11(13)7-8-12(2)14-9-10-15-12/h3-10H2,1-2H3