[2-dodecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] dodecanoate

Systemtic Name: [2-dodecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] dodecanoate Openeye Name: [2-dodecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] dodecanoate CAS Name: dodecanoic acid [2-(1-oxododecoxy)-4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]phenyl] ester IUPAC Name: [2-dodecanoyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] dodecanoate Traditional Name: lauric acid [2-lauroyloxy-4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]phenyl] ester Formula: C40H64NO4+ MolecularWeight: 622.94046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC[N+]2=C(C=C(C=C2C)C)C)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C40H64NO4/c1-6-8-10-12-14-16-18-20-22-24-39(42)44-37-27-26-36(28-29-41-34(4)30-33(3)31-35(41)5)32-38(37)45-40(43)25-23-21-19-17-15-13-11-9-7-2/h26-27,30-32H,6-25,28-29H2,1-5H3/q+1