2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-octadecoxy-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-octadecoxy-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-octadecoxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-octadecoxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-octadecoxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-stearyloxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C62H121NO8P+ MolecularWeight: 1039.599801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H121NO8P/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-68-72(66,69-57-55-63(4,5)6)70-59-60(71-62(65)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3)58-67-61(64)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2/h29-30,32-33,60H,7-28,31,34-59H2,1-6H3/q+1/b32-29+,33-30+