2-[[3-hexadecanoyloxy-2-[8-(2-octylcyclopropyl)octanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-hexadecanoyloxy-2-[8-(2-octylcyclopropyl)octanoyloxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-hexadecanoyloxy-2-[8-(2-octylcyclopropyl)octanoyloxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[8-(2-octylcyclopropyl)-1-oxooctoxy]-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-hexadecanoyloxy-2-[8-(2-octylcyclopropyl)octanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-hexadecanoyloxy-2-[8-(2-octylcyclopropyl)octanoyloxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C43H85NO8P+ MolecularWeight: 775.110661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC1CC1CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC1CC1CCCCCCCC

InChI

InChI=1S/C43H84NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-24-28-32-42(45)49-37-41(38-51-53(47,48)50-35-34-44(3,4)5)52-43(46)33-29-25-21-23-27-31-40-36-39(40)30-26-22-13-11-9-7-2/h39-41H,6-38H2,1-5H3/p+1