2-[2,3-bis(oxidanyl)propyl-octyl-amino]ethanesulfonic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl-octyl-amino]ethanesulfonic acid Openeye Name: 2-[2,3-dihydroxypropyl(octyl)amino]ethanesulfonic acid CAS Name: 2-[2,3-dihydroxypropyl(octyl)amino]ethanesulfonic acid IUPAC Name: 2-[2,3-dihydroxypropyl(octyl)amino]ethanesulfonic acid Traditional Name: 2-[glyceryl(octyl)amino]ethanesulfonic acid Formula: C13H29NO5S MolecularWeight: 311.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCS(=O)(=O)O)CC(CO)O

Isomeric SMILES

CCCCCCCCN(CCS(=O)(=O)O)CC(CO)O

InChI

InChI=1S/C13H29NO5S/c1-2-3-4-5-6-7-8-14(11-13(16)12-15)9-10-20(17,18)19/h13,15-16H,2-12H2,1H3,(H,17,18,19)