[(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R)-2-[7-(4-azido-2-nitrophenoxy)-1-oxoheptoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R)-2-[7-(4-azido-2-nitrophenoxy)heptanoyloxy]-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H64N5O11P MolecularWeight: 785.904721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCOC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCOC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C37H64N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-36(43)50-30-33(31-52-54(47,48)51-28-26-42(2,3)4)53-37(44)23-20-17-18-21-27-49-35-25-24-32(39-40-38)29-34(35)41(45)46/h24-25,29,33H,5-23,26-28,30-31H2,1-4H3/t33-/m1/s1