3-(dodecanoylamino)propyl-[3-[[3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 3-(dodecanoylamino)propyl-[3-[[3-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 3-(dodecanoylamino)propyl-[3-[[3-[3-(dodecanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [3-[[3-[dimethyl-[3-(1-oxododecylamino)propyl]ammonio]-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl]-dimethyl-[3-(1-oxododecylamino)propyl]ammonium IUPAC Name: 3-(dodecanoylamino)propyl-[3-[[3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl]-dimethylazanium Traditional Name: [2-hydroxy-3-[hydroxy-[2-hydroxy-3-[3-(lauroylamino)propyl-dimethyl-ammonio]propoxy]phosphoryl]oxy-propyl]-[3-(lauroylamino)propyl]-dimethyl-ammonium Formula: C40H85N4O8P+2 MolecularWeight: 781.098661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCCCCC)O)O

InChI

InChI=1S/C40H83N4O8P/c1-7-9-11-13-15-17-19-21-23-27-39(47)41-29-25-31-43(3,4)33-37(45)35-51-53(49,50)52-36-38(46)34-44(5,6)32-26-30-42-40(48)28-24-22-20-18-16-14-12-10-8-2/h37-38,45-46H,7-36H2,1-6H3,(H-2,41,42,47,48,49,50)/p+2