4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-diethyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-diethyl-azanium Openeye Name: 4-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]butyl-diethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-diethylammonium IUPAC Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-diethylazanium Traditional Name: 4-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]butyl-diethyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO6P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-26-29(36-28(4)31)27-35-37(32,33)25-22-20-23-30(6-2)7-3/h29H,5-27H2,1-4H3,(H,32,33)/p+1