2-[[(2R)-3-methanoyloxy-2-[(Z,12S)-12-oxidanyloctadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-3-methanoyloxy-2-[(Z,12S)-12-oxidanyloctadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-3-formyloxy-2-[(Z,12S)-12-hydroxyoctadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-3-formyloxy-2-[(Z,12S)-12-hydroxy-1-oxooctadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-3-formyloxy-2-[(Z,12S)-12-hydroxyoctadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-3-formyloxy-2-[(Z,12S)-12-hydroxyoctadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H53NO9P+ MolecularWeight: 566.684781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(COC=O)COP(=O)(O)OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H](COC=O)COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C27H52NO9P/c1-5-6-7-14-17-25(30)18-15-12-10-8-9-11-13-16-19-27(31)37-26(22-34-24-29)23-36-38(32,33)35-21-20-28(2,3)4/h12,15,24-26,30H,5-11,13-14,16-23H2,1-4H3/p+1/b15-12-/t25-,26+/m0/s1