4-(4,4,5,5-tetramethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl)benzoate

Systemtic Name: 4-(4,4,5,5-tetramethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl)benzoate Openeye Name: 4-(1-hydroxy-4,4,5,5-tetramethyl-3-oxido-imidazol-3-ium-2-yl)benzoate CAS Name: 4-(1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-imidazol-3-iumyl)benzoate IUPAC Name: 4-(1-hydroxy-4,4,5,5-tetramethyl-3-oxidoimidazol-3-ium-2-yl)benzoate Traditional Name: 4-(1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-imidazolin-3-ium-2-yl)benzoate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=C(N1O)C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C

Isomeric SMILES

CC1(C([N+](=C(N1O)C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C

InChI

InChI=1S/C14H18N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8,19H,1-4H3,(H,17,18)/p-1