[(2R)-2-(2-azido-4-nitro-phenyl)carbonyloxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-(2-azido-4-nitro-phenyl)carbonyloxy-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-(2-azido-4-nitro-benzoyl)oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-[(2-azido-4-nitrophenyl)-oxomethoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-(2-azido-4-nitrobenzoyl)oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-(2-azido-4-nitro-benzoyl)oxy-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C31H52N5O10P MolecularWeight: 685.745841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C31H52N5O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(37)43-24-27(25-45-47(41,42)44-22-21-36(2,3)4)46-31(38)28-20-19-26(35(39)40)23-29(28)33-34-32/h19-20,23,27H,5-18,21-22,24-25H2,1-4H3/t27-/m1/s1