2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(3-ethylpentadecoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO6P/c1-6-9-10-11-12-13-14-15-16-17-19-26(8-3)20-22-33-24-27(35-28(30)18-7-2)25-34-36(31,32)23-21-29(4)5/h26-27H,6-25H2,1-5H3,(H,31,32)/p+1