bis[2,3-bis(oxidanyl)propyl]-hexadecyl-azanium ethanoate

Systemtic Name: bis[2,3-bis(oxidanyl)propyl]-hexadecyl-azanium ethanoate Openeye Name: bis(2,3-dihydroxypropyl)-hexadecyl-ammonium acetate CAS Name: bis(2,3-dihydroxypropyl)-hexadecylammonium acetate IUPAC Name: bis(2,3-dihydroxypropyl)-hexadecylazanium acetate Traditional Name: cetyl(diglyceryl)ammonium acetate Formula: C24H51NO6 MolecularWeight: 449.66484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](CC(CO)O)CC(CO)O.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](CC(CO)O)CC(CO)O.CC(=O)[O-]

InChI

InChI=1S/C22H47NO4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(17-21(26)19-24)18-22(27)20-25;1-2(3)4/h21-22,24-27H,2-20H2,1H3;1H3,(H,3,4)