2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-13-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-13-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-13-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-3-(1-oxodocosoxy)-2-[(Z)-1-oxooctadec-13-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-13-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-docosanoyloxy-2-[(Z)-octadec-13-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C48H95NO8P+ MolecularWeight: 845.243561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC=CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCC

InChI

InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h13,15,46H,6-12,14,16-45H2,1-5H3/p+1/b15-13-/t46-/m1/s1