2-[[2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxoeicosoxy)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-eicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H89NO8P+ MolecularWeight: 815.174521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,44H,6-14,16,18-20,22-23,25-43H2,1-5H3/p+1/b17-15-,24-21-