1-[[2-dodecanoyloxy-3-[(E)-tetracos-15-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium

Systemtic Name: 1-[[2-dodecanoyloxy-3-[(E)-tetracos-15-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]propyl-trimethyl-azanium Openeye Name: 1-[[2-dodecanoyloxy-3-[(E)-tetracos-15-enoyl]oxy-propoxy]-hydroxy-phosphoryl]propyl-trimethyl-ammonium CAS Name: 1-[hydroxy-[2-(1-oxododecoxy)-3-[(E)-1-oxotetracos-15-enoxy]propoxy]phosphoryl]propyl-trimethylammonium IUPAC Name: 1-[[2-dodecanoyloxy-3-[(E)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]propyl-trimethylazanium Traditional Name: 1-[hydroxy-[2-lauroyloxy-3-[(E)-tetracos-15-enoyl]oxy-propoxy]phosphoryl]propyl-trimethyl-ammonium Formula: C45H89NO7P+ MolecularWeight: 787.164421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)COP(=O)(C(CC)[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC/C=C/CCCCCCCC)COP(=O)(C(CC)[N+](C)(C)C)O

InChI

InChI=1S/C45H88NO7P/c1-7-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-44(47)51-40-42(41-52-54(49,50)43(9-3)46(4,5)6)53-45(48)39-37-35-33-30-17-15-13-11-8-2/h20-21,42-43H,7-19,22-41H2,1-6H3/p+1/b21-20+