[3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[(Z)-1-oxoheptadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-[(Z)-heptadec-9-enoyl]oxy-2-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H84NO8P MolecularWeight: 774.102721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h19,21,41H,6-18,20,22-40H2,1-5H3/b21-19-