2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(E)-1-oxononadec-9-enoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(E)-nonadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H89NO8P+ MolecularWeight: 815.174521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCCC

Isomeric SMILES

CCCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCCC

InChI

InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22-25,44H,6-21,26-43H2,1-5H3/p+1/b24-22+,25-23+