1-[2-octadecylsulfinylethyl(prop-1-en-2-yl)amino]-3-phenyl-propane-2-sulfonic acid

Systemtic Name: 1-[2-octadecylsulfinylethyl(prop-1-en-2-yl)amino]-3-phenyl-propane-2-sulfonic acid Openeye Name: 1-[isopropenyl(2-octadecylsulfinylethyl)amino]-3-phenyl-propane-2-sulfonic acid CAS Name: 1-[1-methylethenyl(2-octadecylsulfinylethyl)amino]-3-phenyl-2-propanesulfonic acid IUPAC Name: 1-[2-octadecylsulfinylethyl(prop-1-en-2-yl)amino]-3-phenylpropane-2-sulfonic acid Traditional Name: 1-[isopropenyl(2-stearylsulfinylethyl)amino]-3-phenyl-propane-2-sulfonic acid Formula: C32H57NO4S2 MolecularWeight: 583.92928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-38(34)27-25-33(30(2)3)29-32(39(35,36)37)28-31-23-20-19-21-24-31/h19-21,23-24,32H,2,4-18,22,25-29H2,1,3H3,(H,35,36,37)