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

Systemtic Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-methyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-methyl-ammonium CAS Name: 2-[[3-hexadecoxy-2-(1-oxobutoxy)propoxy]-hydroxyphosphoryl]ethyl-methylammonium IUPAC Name: 2-[(2-butanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]ethyl-methylazanium Traditional Name: 2-[(2-butyryloxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]ethyl-methyl-ammonium Formula: C26H55NO6P+ MolecularWeight: 508.691761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

InChI

InChI=1S/C26H54NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-23-25(33-26(28)19-5-2)24-32-34(29,30)22-20-27-3/h25,27H,4-24H2,1-3H3,(H,29,30)/p+1