2-[[(2R)-3-icosanoyloxy-2-[(Z)-octadec-7-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-icosanoyloxy-2-[(Z)-octadec-7-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-octadec-7-enoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-3-(1-oxoeicosoxy)-2-[(Z)-1-oxooctadec-7-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-octadec-7-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-eicosanoyloxy-2-[(Z)-octadec-7-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H91NO8P+ MolecularWeight: 817.190401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC=CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\CCCCCCCCCC

InChI

InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h27,29,44H,6-26,28,30-43H2,1-5H3/p+1/b29-27-/t44-/m1/s1