2-[[2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[3-(2-furyl)propanoyloxy]-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-[3-(2-furanyl)-1-oxopropoxy]-3-(1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[3-(furan-2-yl)propanoyloxy]-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[3-(2-furyl)propanoyloxy]-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H57NO9P+ MolecularWeight: 618.759341

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)CCC1=CC=CO1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC1=CC=CO1

InChI

InChI=1S/C31H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(33)38-26-29(41-31(34)22-21-28-19-18-24-37-28)27-40-42(35,36)39-25-23-32(2,3)4/h18-19,24,29H,5-17,20-23,25-27H2,1-4H3/p+1