butane-1-sulfonic acid; 2-(2-oxidanylideneoctyl)thian-4-one

Systemtic Name: butane-1-sulfonic acid; 2-(2-oxidanylideneoctyl)thian-4-one Openeye Name: butane-1-sulfonic acid; 2-(2-oxooctyl)tetrahydrothiopyran-4-one CAS Name: 1-butanesulfonic acid; 2-(2-oxooctyl)-4-thianone IUPAC Name: butane-1-sulfonic acid; 2-(2-oxooctyl)thian-4-one Traditional Name: butane-1-sulfonic acid; 2-(2-ketooctyl)tetrahydrothiopyran-4-one Formula: C17H32O5S2 MolecularWeight: 380.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC1CC(=O)CCS1.CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)CC1CC(=O)CCS1.CCCCS(=O)(=O)O

InChI

InChI=1S/C13H22O2S.C4H10O3S/c1-2-3-4-5-6-11(14)9-13-10-12(15)7-8-16-13;1-2-3-4-8(5,6)7/h13H,2-10H2,1H3;2-4H2,1H3,(H,5,6,7)