methylsulfonyl 3-octadecoxy-2-phenylmethoxy-propane-1-sulfonate; trimethyl(propyl)azanium

Systemtic Name: methylsulfonyl 3-octadecoxy-2-phenylmethoxy-propane-1-sulfonate; trimethyl(propyl)azanium Openeye Name: methylsulfonyl 2-benzyloxy-3-octadecoxy-propane-1-sulfonate; trimethyl(propyl)ammonium CAS Name: 3-octadecoxy-2-phenylmethoxy-1-propanesulfonic acid; trimethyl(propyl)ammonium IUPAC Name: methylsulfonyl 3-octadecoxy-2-phenylmethoxypropane-1-sulfonate; trimethyl(propyl)azanium Traditional Name: 2-benzoxy-3-stearyloxy-propane-1-sulfonic acid mesyl ester; trimethyl(propyl)ammonium Formula: C35H68NO7S2+ MolecularWeight: 679.04692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OCC1=CC=CC=C1.CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OCC1=CC=CC=C1.CCC[N+](C)(C)C

InChI

InChI=1S/C29H52O7S2.C6H16N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-26-29(27-38(32,33)36-37(2,30)31)35-25-28-22-19-18-20-23-28;1-5-6-7(2,3)4/h18-20,22-23,29H,3-17,21,24-27H2,1-2H3;5-6H2,1-4H3/q;+1