[2-methoxy-3-(2-oxidanylideneicosoxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [2-methoxy-3-(2-oxidanylideneicosoxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [2-methoxy-3-(2-oxoicosoxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-methoxy-3-(2-oxoeicosoxy)propyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [2-methoxy-3-(2-oxoicosoxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: [3-(2-ketoeicosoxy)-2-methoxy-propyl] 2-pyridin-1-ium-1-ylethyl phosphate Formula: C31H56NO7P MolecularWeight: 585.752601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)COCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)COCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C31H56NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-30(33)27-37-28-31(36-2)29-39-40(34,35)38-26-25-32-23-20-18-21-24-32/h18,20-21,23-24,31H,3-17,19,22,25-29H2,1-2H3