[2-[8-(furan-2-yl)octanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[8-(furan-2-yl)octanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-[8-(2-furyl)octanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[8-(2-furanyl)-1-oxooctoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-[8-(furan-2-yl)octanoyloxy]-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-[8-(2-furyl)octanoyloxy]-3-hexadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C36H66NO9P MolecularWeight: 687.884301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1=CC=CO1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1=CC=CO1

InChI

InChI=1S/C36H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-26-35(38)43-31-34(32-45-47(40,41)44-30-28-37(2,3)4)46-36(39)27-22-19-16-17-20-24-33-25-23-29-42-33/h23,25,29,34H,5-22,24,26-28,30-32H2,1-4H3