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

Systemtic Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-dimethyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium CAS Name: 2-[[3-hexadecoxy-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-dimethylammonium IUPAC Name: 2-[(2-butanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]ethyl-dimethylazanium Traditional Name: 2-[(2-butyryloxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]ethyl-dimethyl-ammonium Formula: C27H57NO6P+ MolecularWeight: 522.718341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-24-26(34-27(29)20-6-2)25-33-35(30,31)23-21-28(3)4/h26H,5-25H2,1-4H3,(H,30,31)/p+1