2-[(2-butanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2-butanoyloxy-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-diethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-octadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[hydroxy-[3-octadecoxy-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl]ammonium IUPAC Name: 2-[(2-butanoyloxy-3-octadecoxypropoxy)-hydroxyphosphoryl]ethyl-diethylazanium Traditional Name: 2-[(2-butyryloxy-3-stearyloxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium Formula: C31H65NO6P+ MolecularWeight: 578.824661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](CC)CC)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH+](CC)CC)O)OC(=O)CCC

InChI

InChI=1S/C31H64NO6P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-36-28-30(38-31(33)24-6-2)29-37-39(34,35)27-25-32(7-3)8-4/h30H,5-29H2,1-4H3,(H,34,35)/p+1