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

Systemtic Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]hexyl-trimethyl-azanium Openeye Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]hexyl-trimethyl-ammonium CAS Name: 1-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-hydroxyphosphoryl]hexyl-trimethylammonium IUPAC Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]hexyl-trimethylazanium Traditional Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]hexyl-trimethyl-ammonium Formula: C48H93NO7P+ MolecularWeight: 827.228281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H92NO7P/c1-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-41-47(50)54-43-45(44-55-57(52,53)46(49(4,5)6)40-37-12-9-3)56-48(51)42-39-36-34-32-30-28-26-24-22-20-18-16-14-11-8-2/h23-26,45-46H,7-22,27-44H2,1-6H3/p+1/b25-23+,26-24+