2-[2-octadecanoyloxyethyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid

Systemtic Name: 2-[2-octadecanoyloxyethyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Openeye Name: 2-[(2-isopropenylphenyl)methyl-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid CAS Name: 2-[[2-(1-methylethenyl)phenyl]methyl-[2-(1-oxooctadecoxy)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-octadecanoyloxyethyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Traditional Name: 2-[(2-isopropenylbenzyl)-(2-stearoyloxyethyl)amino]ethanesulfonic acid Formula: C32H55NO5S MolecularWeight: 565.8478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

InChI

InChI=1S/C32H55NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(34)38-26-24-33(25-27-39(35,36)37)28-30-21-19-20-22-31(30)29(2)3/h19-22H,2,4-18,23-28H2,1,3H3,(H,35,36,37)