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

Systemtic Name: 2-[(2-methyl-1-phenyl-prop-2-enyl)-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid Openeye Name: 2-[(2-methyl-1-phenyl-allyl)-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid CAS Name: 2-[(2-methyl-1-phenylprop-2-enyl)-[2-(1-oxooctadecoxy)ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[(2-methyl-1-phenylprop-2-enyl)-(2-octadecanoyloxyethyl)amino]ethanesulfonic acid Traditional Name: 2-[(2-methyl-1-phenyl-allyl)-(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)C(C1=CC=CC=C1)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CCS(=O)(=O)O)C(C1=CC=CC=C1)C(=C)C

InChI

InChI=1S/C32H55NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(34)38-27-25-33(26-28-39(35,36)37)32(29(2)3)30-22-19-18-20-23-30/h18-20,22-23,32H,2,4-17,21,24-28H2,1,3H3,(H,35,36,37)