ethanoyl ethanoate; propane-1,2,3-triol; trimethyl-(2-oxidanyl-2-phosphono-ethyl)azanium

Systemtic Name: ethanoyl ethanoate; propane-1,2,3-triol; trimethyl-(2-oxidanyl-2-phosphono-ethyl)azanium Openeye Name: acetyl acetate; glycerol; (2-hydroxy-2-phosphono-ethyl)-trimethyl-ammonium CAS Name: acetic acid acetyl ester; (2-hydroxy-2-phosphonoethyl)-trimethylammonium; propane-1,2,3-triol IUPAC Name: acetyl acetate; (2-hydroxy-2-phosphonoethyl)-trimethylazanium; propane-1,2,3-triol Traditional Name: acetic acid acetyl ester; glycerol; (2-hydroxy-2-phosphono-ethyl)-trimethyl-ammonium Formula: C12H29NO10P+ MolecularWeight: 378.333121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C.C[N+](C)(C)CC(O)P(=O)(O)O.C(C(CO)O)O

Isomeric SMILES

CC(=O)OC(=O)C.C[N+](C)(C)CC(O)P(=O)(O)O.C(C(CO)O)O

InChI

InChI=1S/C5H14NO4P.C4H6O3.C3H8O3/c1-6(2,3)4-5(7)11(8,9)10;1-3(5)7-4(2)6;4-1-3(6)2-5/h5,7H,4H2,1-3H3,(H-,8,9,10);1-2H3;3-6H,1-2H2/p+1