butyl-dimethyl-[3-[[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]azanium

Systemtic Name: butyl-dimethyl-[3-[[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]azanium Openeye Name: butyl-[3-hydroxy-3-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxy-propoxy]phosphoryl]oxy-propyl]-dimethyl-ammonium CAS Name: butyl-[3-hydroxy-3-[hydroxy-[2-[(E)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropyl]-dimethylammonium IUPAC Name: butyl-[3-hydroxy-3-[hydroxy-[3-octadecanoyloxy-2-[(E)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropyl]-dimethylazanium Traditional Name: butyl-[3-hydroxy-3-[hydroxy-[2-[(E)-octadec-9-enoyl]oxy-3-stearoyloxy-propoxy]phosphoryl]oxy-propyl]-dimethyl-ammonium Formula: C48H95NO9P+ MolecularWeight: 861.242961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC(CC[N+](C)(C)CCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C48H94NO9P/c1-6-9-12-14-16-18-20-22-24-26-28-30-32-34-36-38-46(50)55-43-45(44-56-59(53,54)58-48(52)40-42-49(4,5)41-11-8-3)57-47(51)39-37-35-33-31-29-27-25-23-21-19-17-15-13-10-7-2/h23,25,45,48,52H,6-22,24,26-44H2,1-5H3/p+1/b25-23+