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

Systemtic Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-diethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[[3-hexadecoxy-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl]ammonium IUPAC Name: 2-[(2-butanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]ethyl-diethylazanium Traditional Name: 2-[(2-butyryloxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]ethyl-diethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO6P/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-24-34-26-28(36-29(31)22-6-2)27-35-37(32,33)25-23-30(7-3)8-4/h28H,5-27H2,1-4H3,(H,32,33)/p+1