[3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 5-pyridin-1-ium-1-ylpentyl phosphate

Systemtic Name: [3-octadecoxy-2-(3-oxidanylidenebutanoyloxy)propyl] 5-pyridin-1-ium-1-ylpentyl phosphate Openeye Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 5-pyridin-1-ium-1-ylpentyl phosphate CAS Name: [2-(1,3-dioxobutoxy)-3-octadecoxypropyl] 5-(1-pyridin-1-iumyl)pentyl phosphate IUPAC Name: [3-octadecoxy-2-(3-oxobutanoyloxy)propyl] 5-pyridin-1-ium-1-ylpentyl phosphate Traditional Name: (2-acetoacetyloxy-3-stearyloxy-propyl) 5-pyridin-1-ium-1-ylpentyl phosphate Formula: C35H62NO8P MolecularWeight: 655.842441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-41-31-34(44-35(38)30-33(2)37)32-43-45(39,40)42-29-24-19-22-27-36-25-20-18-21-26-36/h18,20-21,25-26,34H,3-17,19,22-24,27-32H2,1-2H3