triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium sulfate

Systemtic Name: triethyl-(3-octadecanoyloxy-2-oxidanyl-propyl)azanium sulfate Openeye Name: triethyl-(2-hydroxy-3-octadecanoyloxy-propyl)ammonium sulfate CAS Name: triethyl-[2-hydroxy-3-(1-oxooctadecoxy)propyl]ammonium sulfate IUPAC Name: triethyl-(2-hydroxy-3-octadecanoyloxypropyl)azanium sulfate Traditional Name: triethyl-(2-hydroxy-3-stearoyloxy-propyl)ammonium sulfate Formula: C27H56NO7S- MolecularWeight: 538.80104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CC)(CC)CC)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H56NO3.H2O4S/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28(6-2,7-3)8-4;1-5(2,3)4/h26,29H,5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2