[3-hexadecanoyloxy-2-[8-[1-[4-[3-(trifluoromethyl)-1,2-diazirin-1-yl]phenyl]ethoxy]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecanoyloxy-2-[8-[1-[4-[3-(trifluoromethyl)-1,2-diazirin-1-yl]phenyl]ethoxy]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[8-[1-[4-[3-(trifluoromethyl)diazirin-1-yl]phenyl]ethoxy]octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxohexadecoxy)-2-[1-oxo-8-[1-[4-[3-(trifluoromethyl)-1-diazirinyl]phenyl]ethoxy]octoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[8-[1-[4-[3-(trifluoromethyl)diazirin-1-yl]phenyl]ethoxy]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[8-[1-[4-[3-(trifluoromethyl)diazirin-1-yl]phenyl]ethoxy]octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H71F3N3O9P MolecularWeight: 849.996811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCOC(C)C1=CC=C(C=C1)N2C(=N2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCOC(C)C1=CC=C(C=C1)N2C(=N2)C(F)(F)F

InChI

InChI=1S/C42H71F3N3O9P/c1-6-7-8-9-10-11-12-13-14-15-16-18-21-24-39(49)54-33-38(34-56-58(51,52)55-32-30-48(3,4)5)57-40(50)25-22-19-17-20-23-31-53-35(2)36-26-28-37(29-27-36)47-41(46-47)42(43,44)45/h26-29,35,38H,6-25,30-34H2,1-5H3