2-[[(2R)-2,3-bis[[(Z)-octadec-12-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2,3-bis[[(Z)-octadec-12-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2,3-bis[[(Z)-octadec-12-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2,3-bis[(Z)-1-oxooctadec-12-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2,3-bis[[(Z)-octadec-12-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2,3-bis[[(Z)-octadec-12-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO8P+ MolecularWeight: 787.121361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,42H,6-13,18-41H2,1-5H3/p+1/b16-14-,17-15-/t42-/m1/s1