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

Systemtic Name: 2-[(2-butanoyloxy-3-pentadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-diethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-pentadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[hydroxy-[2-(1-oxobutoxy)-3-pentadecoxypropoxy]phosphoryl]ethyl]ammonium IUPAC Name: 2-[(2-butanoyloxy-3-pentadecoxypropoxy)-hydroxyphosphoryl]ethyl-diethylazanium Traditional Name: 2-[(2-butyryloxy-3-pentadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO6P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(35-28(30)21-6-2)26-34-36(31,32)24-22-29(7-3)8-4/h27H,5-26H2,1-4H3,(H,31,32)/p+1