2-[2,3-bis[[(Z)-octadec-6-enoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(Z)-octadec-6-enoyl]oxy]propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(Z)-octadec-6-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(Z)-1-oxooctadec-6-enoxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(Z)-octadec-6-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(Z)-octadec-6-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H85NO8P+ MolecularWeight: 787.121361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC=CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC/C=C\CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\CCCCCCCCCCC

InChI

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h26-29,42H,6-25,30-41H2,1-5H3/p+1/b28-26-,29-27-