trimethyl-[2-[[(6E,9E)-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxidanylidene-octadeca-6,9-dien-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(6E,9E)-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxidanylidene-octadeca-6,9-dien-3-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[[(4E,7E)-1-ethyl-16-(1-methyl-2-octadecanoyloxy-ethoxy)-16-oxo-hexadeca-4,7-dienoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(6E,9E)-18-oxo-18-[1-(1-oxooctadecoxy)propan-2-yloxy]octadeca-6,9-dien-3-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(6E,9E)-18-(1-octadecanoyloxypropan-2-yloxy)-18-oxooctadeca-6,9-dien-3-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(4E,7E)-1-ethyl-16-keto-16-(1-methyl-2-stearoyloxy-ethoxy)hexadeca-4,7-dienoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO8P+ MolecularWeight: 787.121361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC=CCC=CCCC(CC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC/C=C/C/C=C/CCC(CC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C44H84NO8P/c1-7-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-43(46)50-40-41(3)52-44(47)37-34-31-28-25-22-19-18-20-23-26-29-32-35-42(8-2)53-54(48,49)51-39-38-45(4,5)6/h18,20,26,29,41-42H,7-17,19,21-25,27-28,30-40H2,1-6H3/p+1/b20-18+,29-26+