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

Systemtic Name: trimethyl-[2-[[3-[(E)-octadec-9-enoyl]oxy-2-tetracosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[3-[(E)-octadec-9-enoyl]oxy-2-tetracosanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-[(E)-1-oxooctadec-9-enoxy]-2-(1-oxotetracosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[3-[(E)-octadec-9-enoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[3-[(E)-octadec-9-enoyl]oxy-2-tetracosanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C50H99NO8P+ MolecularWeight: 873.296721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h21,28,48H,6-20,22-27,29-47H2,1-5H3/p+1/b28-21+