2-[[2-butanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxobutoxy)-3-[(Z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-butyryloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H59NO8P+ MolecularWeight: 592.765121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC

InChI

InChI=1S/C30H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-29(32)36-26-28(39-30(33)22-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h14-15,28H,6-13,16-27H2,1-5H3/p+1/b15-14-