2-[(2-methyl-1-phenyl-prop-2-enyl)-(2-octadecylsulfinylethyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2-methyl-1-phenyl-prop-2-enyl)-(2-octadecylsulfinylethyl)amino]ethanesulfonic acid Openeye Name: 2-[(2-methyl-1-phenyl-allyl)-(2-octadecylsulfinylethyl)amino]ethanesulfonic acid CAS Name: 2-[(2-methyl-1-phenylprop-2-enyl)-(2-octadecylsulfinylethyl)amino]ethanesulfonic acid IUPAC Name: 2-[(2-methyl-1-phenylprop-2-enyl)-(2-octadecylsulfinylethyl)amino]ethanesulfonic acid Traditional Name: 2-[(2-methyl-1-phenyl-allyl)-(2-stearylsulfinylethyl)amino]ethanesulfonic acid Formula: C32H57NO4S2 MolecularWeight: 583.92928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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