2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-diethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-diethyl-ammonium CAS Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-diethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxyphosphoryl]ethyl-diethylazanium Traditional Name: 2-[[2-butyryloxy-3-(2,4-dimethylhexadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-diethyl-ammonium Formula: C31H65NO6P+ MolecularWeight: 578.824661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH+](CC)CC)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH+](CC)CC)O)OC(=O)CCC

InChI

InChI=1S/C31H64NO6P/c1-7-11-12-13-14-15-16-17-18-19-21-28(5)24-29(6)25-36-26-30(38-31(33)20-8-2)27-37-39(34,35)23-22-32(9-3)10-4/h28-30H,7-27H2,1-6H3,(H,34,35)/p+1