[(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxidanylidene-octadec-9-en-6-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxidanylidene-octadec-9-en-6-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-1-[5-(2-hexadecanoyloxy-1-methyl-ethoxy)-5-oxo-pentyl]tridec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-1-oxo-1-[1-(1-oxohexadecoxy)propan-2-yloxy]octadec-9-en-6-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxooctadec-9-en-6-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-1-[5-(2-hexadecanoyloxy-1-methyl-ethoxy)-5-keto-pentyl]tridec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H82NO8P MolecularWeight: 760.076141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(CCC=CCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(CC/C=C/CCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H82NO8P/c1-7-9-11-13-15-17-19-20-21-23-25-27-29-34-41(44)48-38-39(3)50-42(45)35-31-30-33-40(51-52(46,47)49-37-36-43(4,5)6)32-28-26-24-22-18-16-14-12-10-8-2/h24,26,39-40H,7-23,25,27-38H2,1-6H3/b26-24+