[3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate hexafluorophosphate

Systemtic Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate hexafluorophosphate Openeye Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate hexafluorophosphate CAS Name: dodecanoic acid [3-(1-oxododecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester hexafluorophosphate IUPAC Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate hexafluorophosphate Traditional Name: lauric acid [3-lauroyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester hexafluorophosphate Formula: C35H62F6NO4P MolecularWeight: 705.83526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)[N+]1=C(C=C(C=C1C)C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)[N+]1=C(C=C(C=C1C)C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C35H62NO4.F6P/c1-6-8-10-12-14-16-18-20-22-24-34(37)39-28-33(36-31(4)26-30(3)27-32(36)5)29-40-35(38)25-23-21-19-17-15-13-11-9-7-2;1-7(2,3,4,5)6/h26-27,33H,6-25,28-29H2,1-5H3;/q+1;-1