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

Systemtic Name: [3-octadecoxy-2-(phenylcarbonyloxy)propyl] 8-pyridin-1-ium-1-yloctyl phosphate Openeye Name: (2-benzoyloxy-3-octadecoxy-propyl) 8-pyridin-1-ium-1-yloctyl phosphate CAS Name: (2-benzoyloxy-3-octadecoxypropyl) 8-(1-pyridin-1-iumyl)octyl phosphate IUPAC Name: (2-benzoyloxy-3-octadecoxypropyl) 8-pyridin-1-ium-1-yloctyl phosphate Traditional Name: (2-benzoyloxy-3-stearyloxy-propyl) 8-pyridin-1-ium-1-yloctyl phosphate Formula: C41H68NO7P MolecularWeight: 717.954881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCC[N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCCCCCCC[N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C41H68NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-28-35-46-37-40(49-41(43)39-30-23-21-24-31-39)38-48-50(44,45)47-36-29-20-17-15-18-25-32-42-33-26-22-27-34-42/h21-24,26-27,30-31,33-34,40H,2-20,25,28-29,32,35-38H2,1H3