[1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C32H57NO8P+ MolecularWeight: 614.770641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC(=O)CC(=O)C

InChI

InChI=1S/C32H56NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-38-28-31(41-32(35)27-30(2)34)29-40-42(36,37)39-26-24-33-22-19-18-20-23-33/h18-20,22-23,31H,3-17,21,24-29H2,1-2H3/p+1