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

Systemtic Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-oxidanyl-phosphoryl]ethyl-diethyl-azanium Openeye Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[[3-(3-ethylpentadecoxy)-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl]ammonium IUPAC Name: 2-[[2-butanoyloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxyphosphoryl]ethyl-diethylazanium Traditional Name: 2-[[2-butyryloxy-3-(3-ethylpentadecoxy)propoxy]-hydroxy-phosphoryl]ethyl-diethyl-ammonium Formula: C30H63NO6P+ MolecularWeight: 564.798081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO6P/c1-6-11-12-13-14-15-16-17-18-19-21-28(8-3)22-24-35-26-29(37-30(32)20-7-2)27-36-38(33,34)25-23-31(9-4)10-5/h28-29H,6-27H2,1-5H3,(H,33,34)/p+1