2-[[3-heptadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-heptadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-heptadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxoheptadecoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-heptadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-heptadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C43H83NO8P+ MolecularWeight: 773.094781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,41H,6-13,15,17-19,21,23-40H2,1-5H3/p+1/b16-14-,22-20-