2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-octadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-[(Z)-1-oxohexadec-9-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-stearoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H83NO8P+ MolecularWeight: 761.084081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/p+1/b19-17-/t40-/m1/s1