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

Systemtic Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 2-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium Formula: C46H89NO8P+ MolecularWeight: 815.174521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H88NO8P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-41-44(42-53-56(50,51)55-43(9-3)40-47(4,5)6)54-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h22-25,43-44H,7-21,26-42H2,1-6H3/p+1/b24-22+,25-23+