[2-[12-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]carbonylamino]dodecanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[12-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]carbonylamino]dodecanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[12-[(4-azido-2,3,5,6-tetrafluoro-benzoyl)amino]dodecanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[12-[[(4-azido-2,3,5,6-tetrafluorophenyl)-oxomethyl]amino]-1-oxododecoxy]-3-[(E)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[12-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]dodecanoyloxy]-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[12-[(4-azido-2,3,5,6-tetrafluoro-benzoyl)amino]dodecanoyloxy]-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C45H74F4N5O9P MolecularWeight: 936.064534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F

InChI

InChI=1S/C45H74F4N5O9P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29-37(55)60-34-36(35-62-64(58,59)61-33-32-54(2,3)4)63-38(56)30-27-24-21-18-16-19-22-25-28-31-51-45(57)39-40(46)42(48)44(52-53-50)43(49)41(39)47/h12-13,36H,5-11,14-35H2,1-4H3,(H-,51,57,58,59)/b13-12+