5-(3-octyl-1,2-dithiolan-3-yl)pentanoic acid

Systemtic Name: 5-(3-octyl-1,2-dithiolan-3-yl)pentanoic acid Openeye Name: 5-(3-octyldithiolan-3-yl)pentanoic acid CAS Name: 5-(3-octyl-3-dithiolanyl)pentanoic acid IUPAC Name: 5-(3-octyldithiolan-3-yl)pentanoic acid Traditional Name: 5-(3-octyldithiolan-3-yl)valeric acid Formula: C16H30O2S2 MolecularWeight: 318.5382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCSS1)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1(CCSS1)CCCCC(=O)O

InChI

InChI=1S/C16H30O2S2/c1-2-3-4-5-6-8-11-16(13-14-19-20-16)12-9-7-10-15(17)18/h2-14H2,1H3,(H,17,18)