[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl]sulfonylmethanesulfonate; trimethyl(propyl)azanium

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl]sulfonylmethanesulfonate; trimethyl(propyl)azanium Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylmethanesulfonate; trimethyl(propyl)ammonium CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl]sulfonylmethanesulfonate; trimethyl(propyl)ammonium IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl]sulfonylmethanesulfonate; trimethyl(propyl)azanium Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl)sulfonylmethanesulfonate; trimethyl(propyl)ammonium Formula: C32H65NO9S2 MolecularWeight: 671.9898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CS(=O)(=O)[O-])OC(=O)CC(=O)C.CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CS(=O)(=O)[O-])OC(=O)CC(=O)C.CCC[N+](C)(C)C

InChI

InChI=1S/C26H50O9S2.C6H16N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-21-25(35-26(28)20-24(2)27)22-36(29,30)23-37(31,32)33;1-5-6-7(2,3)4/h25H,3-23H2,1-2H3,(H,31,32,33);5-6H2,1-4H3/q;+1/p-1