[(2R)-3-hexadecanoyloxy-2-[4-(phenylcarbonyl)phenyl]carbonyloxy-propyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate

Systemtic Name: [(2R)-3-hexadecanoyloxy-2-[4-(phenylcarbonyl)phenyl]carbonyloxy-propyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate Openeye Name: [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxy-propyl] 2-[tris(tritritiomethyl)ammonio]ethyl phosphate CAS Name: [(2R)-2-[(4-benzoylphenyl)-oxomethoxy]-3-(1-oxohexadecoxy)propyl] 2-[tris(tritritiomethyl)ammonio]ethyl phosphate IUPAC Name: [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxypropyl] 2-[tris(tritritiomethyl)azaniumyl]ethyl phosphate Traditional Name: [(2R)-2-(4-benzoylbenzoyl)oxy-3-hexadecanoyloxy-propyl] 2-[tris(tritritiomethyl)ammonio]ethyl phosphate Formula: C38H58NO9P MolecularWeight: 721.915164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[3H]C([3H])([3H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)(C([3H])([3H])[3H])C([3H])([3H])[3H]

InChI

InChI=1S/C38H58NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36(40)45-30-35(31-47-49(43,44)46-29-28-39(2,3)4)48-38(42)34-26-24-33(25-27-34)37(41)32-21-18-17-19-22-32/h17-19,21-22,24-27,35H,5-16,20,23,28-31H2,1-4H3/t35-/m1/s1/i2T3,3T3,4T3