2-[2-octadecanoyloxyethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid

Systemtic Name: 2-[2-octadecanoyloxyethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[2-octadecanoyloxyethyl(1-phenylallyl)amino]ethanesulfonic acid CAS Name: 2-[2-(1-oxooctadecoxy)ethyl-(1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[2-octadecanoyloxyethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[1-phenylallyl(2-stearoyloxyethyl)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)C(C=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)C(C=C)C1=CC=CC=C1

InChI

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