2-[[3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[(9E,12E)-octadeca-9,12-dienoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H83NO7P+ MolecularWeight: 745.084681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-41(40-50-51(45,46)49-38-36-43(3,4)5)39-48-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/p+1/b16-14+,21-20+