2-[[(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxidanylidene-octadec-9-en-6-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxidanylidene-octadec-9-en-6-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E)-1-[5-(2-hexadecanoyloxy-1-methyl-ethoxy)-5-oxo-pentyl]tridec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E)-1-oxo-1-[1-(1-oxohexadecoxy)propan-2-yloxy]octadec-9-en-6-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E)-1-(1-hexadecanoyloxypropan-2-yloxy)-1-oxooctadec-9-en-6-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(E)-1-[5-(2-hexadecanoyloxy-1-methyl-ethoxy)-5-keto-pentyl]tridec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H83NO8P+ MolecularWeight: 761.084081

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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/p+1/b26-24+