1-[ethenyl(2-octadecylsulfinylethyl)amino]-3-phenyl-propane-2-sulfonic acid

Systemtic Name: 1-[ethenyl(2-octadecylsulfinylethyl)amino]-3-phenyl-propane-2-sulfonic acid Openeye Name: 1-[2-octadecylsulfinylethyl(vinyl)amino]-3-phenyl-propane-2-sulfonic acid CAS Name: 1-[ethenyl(2-octadecylsulfinylethyl)amino]-3-phenyl-2-propanesulfonic acid IUPAC Name: 1-[ethenyl(2-octadecylsulfinylethyl)amino]-3-phenylpropane-2-sulfonic acid Traditional Name: 1-phenyl-3-[2-stearylsulfinylethyl(vinyl)amino]propane-2-sulfonic acid Formula: C31H55NO4S2 MolecularWeight: 569.9027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)CCN(CC(CC1=CC=CC=C1)S(=O)(=O)O)C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)CCN(CC(CC1=CC=CC=C1)S(=O)(=O)O)C=C

InChI

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