2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphinothioyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphinothioyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphinothioyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(Z)-1-oxooctadec-9-enoxy]propoxy-hydroxyphosphinothioyl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphinothioyl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-hydroxy-thiophosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO7PS+ MolecularWeight: 803.186961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H84NO7PS/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/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-