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

Systemtic Name: 2-[2-octadecylsulfinylethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[2-octadecylsulfinylethyl(1-phenylallyl)amino]ethanesulfonic acid CAS Name: 2-[2-octadecylsulfinylethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[2-octadecylsulfinylethyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[1-phenylallyl(2-stearylsulfinylethyl)amino]ethanesulfonic acid Formula: C31H55NO4S2 MolecularWeight: 569.9027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)CCN(CCS(=O)(=O)O)C(C=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)CCN(CCS(=O)(=O)O)C(C=C)C1=CC=CC=C1

InChI

InChI=1S/C31H55NO4S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-37(33)28-25-32(26-29-38(34,35)36)31(4-2)30-23-20-19-21-24-30/h4,19-21,23-24,31H,2-3,5-18,22,25-29H2,1H3,(H,34,35,36)