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

Systemtic Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate Openeye Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate CAS Name: dodecanoic acid [3-(1-oxododecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester IUPAC Name: [3-dodecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] dodecanoate Traditional Name: lauric acid [3-lauroyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester Formula: C35H62NO4+ MolecularWeight: 560.87108

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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

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)[N+]1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C35H62NO4/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/h26-27,33H,6-25,28-29H2,1-5H3/q+1