[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 4-pyridin-1-ium-1-ylbutyl phosphate

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 4-pyridin-1-ium-1-ylbutyl phosphate Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 4-pyridin-1-ium-1-ylbutyl phosphate CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl] 4-(1-pyridin-1-iumyl)butyl phosphate IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 4-pyridin-1-ium-1-ylbutyl phosphate Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl) 4-pyridin-1-ium-1-ylbutyl phosphate Formula: C34H60NO8P MolecularWeight: 641.815861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-40-30-33(43-34(37)29-32(2)36)31-42-44(38,39)41-28-23-21-26-35-24-19-18-20-25-35/h18-20,24-25,33H,3-17,21-23,26-31H2,1-2H3