2-[(2-ethenylphenyl)methyl-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2-ethenylphenyl)methyl-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid Openeye Name: 2-[2-octadecanoyloxyethyl-[(2-vinylphenyl)methyl]amino]ethanesulfonic acid CAS Name: 2-[(2-ethenylphenyl)methyl-[2-(1-oxooctadecoxy)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2-ethenylphenyl)methyl-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid Traditional Name: 2-[2-stearoyloxyethyl-(2-vinylbenzyl)amino]ethanesulfonic acid Formula: C31H53NO5S MolecularWeight: 551.82122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C=C

InChI

InChI=1S/C31H53NO5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31(33)37-26-24-32(25-27-38(34,35)36)28-30-22-20-19-21-29(30)4-2/h4,19-22H,2-3,5-18,23-28H2,1H3,(H,34,35,36)