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

Systemtic Name: [3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-[8-(3-octyl-2-oxiranyl)-1-oxooctoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hexadecanoyloxy-2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H82NO9P MolecularWeight: 776.075541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1C(O1)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC1C(O1)CCCCCCCC

InChI

InChI=1S/C42H82NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-24-28-32-41(44)48-36-38(37-50-53(46,47)49-35-34-43(3,4)5)51-42(45)33-29-25-21-23-27-31-40-39(52-40)30-26-22-13-11-9-7-2/h38-40H,6-37H2,1-5H3