1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]butyl-trimethyl-azanium

Systemtic Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 1-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-hydroxyphosphoryl]butyl-trimethylammonium IUPAC Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C46H89NO7P+ MolecularWeight: 799.175121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H88NO7P/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-45(48)52-41-43(42-53-55(50,51)44(38-9-3)47(4,5)6)54-46(49)40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h22-25,43-44H,7-21,26-42H2,1-6H3/p+1/b24-22+,25-23+