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

Systemtic Name: 4-[(2-acetyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-diethyl-azanium Openeye Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-diethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-diethylammonium IUPAC Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-diethylazanium Traditional Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-diethyl-ammonium Formula: C30H63NO6P+ MolecularWeight: 564.798081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO6P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-27-30(37-29(4)32)28-36-38(33,34)26-23-21-24-31(6-2)7-3/h30H,5-28H2,1-4H3,(H,33,34)/p+1