2-[[(2R)-2-[12-[(2-azido-4-nitro-phenyl)amino]dodecanoyloxy]-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[12-[(2-azido-4-nitro-phenyl)amino]dodecanoyloxy]-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-[12-(2-azido-4-nitro-anilino)dodecanoyloxy]-3-tetradecanoyloxy-propoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2-[12-(2-azido-4-nitroanilino)-1-oxododecoxy]-3-(1-oxotetradecoxy)propoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-[12-(2-azido-4-nitroanilino)dodecanoyloxy]-3-tetradecanoyloxypropoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[12-(2-azido-4-nitro-anilino)dodecanoyloxy]-3-tetradecanoyloxy-propoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C40H72N6O9P+ MolecularWeight: 812.008241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C40H72N6O9P/c1-5-6-7-8-9-10-11-13-16-19-22-25-39(47)52-33-36(34-54-56(51)53-31-30-46(2,3)4)55-40(48)26-23-20-17-14-12-15-18-21-24-29-42-37-28-27-35(45(49)50)32-38(37)43-44-41/h27-28,32,36,42,51H,5-26,29-31,33-34H2,1-4H3/q+1/t36-,56?/m1/s1