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

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl-(octylamino)amino]ethanesulfonic acid Openeye Name: 2-[2,3-dihydroxypropyl-(octylamino)amino]ethanesulfonic acid CAS Name: 2-[2,3-dihydroxypropyl-(octylamino)amino]ethanesulfonic acid IUPAC Name: 2-[2,3-dihydroxypropyl-(octylamino)amino]ethanesulfonic acid Traditional Name: 2-[glyceryl-(octylamino)amino]ethanesulfonic acid Formula: C13H30N2O5S MolecularWeight: 326.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNN(CCS(=O)(=O)O)CC(CO)O

Isomeric SMILES

CCCCCCCCNN(CCS(=O)(=O)O)CC(CO)O

InChI

InChI=1S/C13H30N2O5S/c1-2-3-4-5-6-7-8-14-15(11-13(17)12-16)9-10-21(18,19)20/h13-14,16-17H,2-12H2,1H3,(H,18,19,20)