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

Systemtic Name: 2-[heptyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]ethanesulfonic acid Openeye Name: 2-[(3-allyloxy-2-hydroxy-propyl)-heptyl-amino]ethanesulfonic acid CAS Name: 2-[heptyl-(2-hydroxy-3-prop-2-enoxypropyl)amino]ethanesulfonic acid IUPAC Name: 2-[heptyl-(2-hydroxy-3-prop-2-enoxypropyl)amino]ethanesulfonic acid Traditional Name: 2-[(3-allyloxy-2-hydroxy-propyl)-heptyl-amino]ethanesulfonic acid Formula: C15H31NO5S MolecularWeight: 337.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCS(=O)(=O)O)CC(COCC=C)O

Isomeric SMILES

CCCCCCCN(CCS(=O)(=O)O)CC(COCC=C)O

InChI

InChI=1S/C15H31NO5S/c1-3-5-6-7-8-9-16(10-12-22(18,19)20)13-15(17)14-21-11-4-2/h4,15,17H,2-3,5-14H2,1H3,(H,18,19,20)