1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol CAS Name: 2-hydroxy-2-oxoacetate; 1-(4-morpholin-4-iumyl)-3-(2,4,6-trimethylphenoxy)-2-propanol IUPAC Name: 2-hydroxy-2-oxoacetate; 1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol Traditional Name: 1-morpholin-4-ium-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol binoxalate Formula: C18H27NO7 MolecularWeight: 369.40948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CCOCC2)O)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CCOCC2)O)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H25NO3.C2H2O4/c1-12-8-13(2)16(14(3)9-12)20-11-15(18)10-17-4-6-19-7-5-17;3-1(4)2(5)6/h8-9,15,18H,4-7,10-11H2,1-3H3;(H,3,4)(H,5,6)