[3-[(3-dodecanoyloxy-2-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-ethyl-dimethyl-azanium

Systemtic Name: [3-[(3-dodecanoyloxy-2-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]-ethyl-dimethyl-azanium Openeye Name: [3-[(3-dodecanoyloxy-2-octadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxy-3-hydroxy-propyl]-ethyl-dimethyl-ammonium CAS Name: ethyl-[3-hydroxy-3-[hydroxy-[3-(1-oxododecoxy)-2-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropyl]-dimethylammonium IUPAC Name: [3-[(3-dodecanoyloxy-2-octadecanoyloxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropyl]-ethyl-dimethylazanium Traditional Name: ethyl-[3-hydroxy-3-[hydroxy-(3-lauroyloxy-2-stearoyloxy-propoxy)phosphoryl]oxy-propyl]-dimethyl-ammonium Formula: C40H81NO9P+ MolecularWeight: 751.046201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OC(CC[N+](C)(C)CC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OC(CC[N+](C)(C)CC)O

InChI

InChI=1S/C40H80NO9P/c1-6-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(43)49-37(35-47-38(42)31-29-27-25-23-16-14-12-10-7-2)36-48-51(45,46)50-40(44)33-34-41(4,5)8-3/h37,40,44H,6-36H2,1-5H3/p+1