2-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-icosanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-[(Z)-1-oxodocos-13-enoxy]-3-(1-oxoeicosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-icosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-eicosanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C50H99NO8P+ MolecularWeight: 873.296721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,48H,6-19,21,23-47H2,1-5H3/p+1/b22-20-/t48-/m1/s1