4,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-2H-imidazol-1-ium-2-carboxylic acid

Systemtic Name: 4,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-2H-imidazol-1-ium-2-carboxylic acid Openeye Name: 3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-carboxylic acid CAS Name: 3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-carboxylic acid IUPAC Name: 3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-carboxylic acid Traditional Name: 3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-3-imidazolin-1-ium-2-carboxylic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c1-12(2)9(8-6-4-3-5-7-8)13(17)10(11(15)16)14(12)18/h3-7,10,18H,1-2H3,(H,15,16)