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

Systemtic Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanyl-phosphoryl]pentyl-trimethyl-azanium Openeye Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]pentyl-trimethyl-ammonium CAS Name: 1-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-hydroxyphosphoryl]pentyl-trimethylammonium IUPAC Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]pentyl-trimethylazanium Traditional Name: 1-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxy-phosphoryl]pentyl-trimethyl-ammonium Formula: C47H91NO7P+ MolecularWeight: 813.201701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H90NO7P/c1-7-10-13-15-17-19-21-23-25-27-29-31-33-35-37-40-46(49)53-42-44(43-54-56(51,52)45(39-12-9-3)48(4,5)6)55-47(50)41-38-36-34-32-30-28-26-24-22-20-18-16-14-11-8-2/h23-26,44-45H,7-22,27-43H2,1-6H3/p+1/b25-23+,26-24+