[(2R)-3-hexadecanoyloxy-2-[11-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-3-hexadecanoyloxy-2-[11-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-3-hexadecanoyloxy-2-[11-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-[11-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxoundecoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[11-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]undecanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-3-hexadecanoyloxy-2-[11-[methyl-(7-nitrobenzofurazan-4-yl)amino]undecanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H74N5O11P MolecularWeight: 856.037621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCN(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCN(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C42H74N5O11P/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-39(48)54-34-36(35-56-59(52,53)55-33-32-47(3,4)5)57-40(49)28-25-22-19-16-17-20-23-26-31-45(2)37-29-30-38(46(50)51)42-41(37)43-58-44-42/h29-30,36H,6-28,31-35H2,1-5H3/t36-/m1/s1