2-[[(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2-[7-(4-azido-2-nitrophenoxy)-1-oxoheptoxy]-3-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-[7-(4-azido-2-nitrophenoxy)heptanoyloxy]-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[7-(4-azido-2-nitro-phenoxy)heptanoyloxy]-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C37H65N5O11P+ MolecularWeight: 786.912661

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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/p+1/t33-/m1/s1