[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 8-pyridin-1-ium-1-yloctyl phosphate

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 8-pyridin-1-ium-1-yloctyl phosphate Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 8-pyridin-1-ium-1-yloctyl phosphate CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl] 8-(1-pyridin-1-iumyl)octyl phosphate IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 8-pyridin-1-ium-1-yloctyl phosphate Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl) 8-pyridin-1-ium-1-yloctyl phosphate Formula: C38H68NO8P MolecularWeight: 697.922181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H68NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-26-31-44-34-37(47-38(41)33-36(2)40)35-46-48(42,43)45-32-27-21-18-16-19-23-28-39-29-24-22-25-30-39/h22,24-25,29-30,37H,3-21,23,26-28,31-35H2,1-2H3