[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl] 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C32H56NO8P MolecularWeight: 613.762701

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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