2-[2-octadecanoyloxyethyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]ethanesulfonic acid

Systemtic Name: 2-[2-octadecanoyloxyethyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]ethanesulfonic acid Openeye Name: 2-[(3-allyloxy-2-hydroxy-propyl)-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid CAS Name: 2-[(2-hydroxy-3-prop-2-enoxypropyl)-[2-(1-oxooctadecoxy)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2-hydroxy-3-prop-2-enoxypropyl)-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid Traditional Name: 2-[(3-allyloxy-2-hydroxy-propyl)-(2-stearoyloxyethyl)amino]ethanesulfonic acid Formula: C28H55NO7S MolecularWeight: 549.8038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC(COCC=C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC(COCC=C)O

InChI

InChI=1S/C28H55NO7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)36-23-20-29(21-24-37(32,33)34)25-27(30)26-35-22-4-2/h4,27,30H,2-3,5-26H2,1H3,(H,32,33,34)