2-[2,3-bis[[(10E,13E)-heptadeca-10,13-dienoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(10E,13E)-heptadeca-10,13-dienoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(10E,13E)-heptadeca-10,13-dienoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(10E,13E)-1-oxoheptadeca-10,13-dienoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(10E,13E)-heptadeca-10,13-dienoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(10E,13E)-heptadeca-10,13-dienoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H77NO8P+ MolecularWeight: 755.036441

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCC=CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC=CCC=CCCC

Isomeric SMILES

CCC/C=C/C/C=C/CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC/C=C/C/C=C/CCC

InChI

InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h10-13,16-19,40H,6-9,14-15,20-39H2,1-5H3/p+1/b12-10+,13-11+,18-16+,19-17+