trimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphinothioyl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphinothioyl]oxyethyl]azanium Openeye Name: trimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphinothioyl]oxyethyl]ammonium CAS Name: trimethyl-[2-[oxido-[3-[(Z)-1-oxooctadec-9-enoxy]-2-(1-oxooctadecoxy)propoxy]phosphinothioyl]oxyethyl]ammonium IUPAC Name: trimethyl-[2-[[2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphinothioyl]oxyethyl]azanium Traditional Name: trimethyl-[2-[[3-[(Z)-octadec-9-enoyl]oxy-2-stearoyloxy-propoxy]-oxido-thiophosphoryl]oxyethyl]ammonium Formula: C44H86NO7PS MolecularWeight: 804.194901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=S)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=S)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C44H86NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)49-40-42(41-51-53(48,54)50-39-38-45(3,4)5)52-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-