4,5-bis(chloranyl)-1-methyl-1-(phenylcarbonyl)imidazol-1-ium-2-carboxylic acid

Systemtic Name: 4,5-bis(chloranyl)-1-methyl-1-(phenylcarbonyl)imidazol-1-ium-2-carboxylic acid Openeye Name: 1-benzoyl-4,5-dichloro-1-methyl-imidazol-1-ium-2-carboxylic acid CAS Name: 1-benzoyl-4,5-dichloro-1-methyl-2-imidazol-1-iumcarboxylic acid IUPAC Name: 1-benzoyl-4,5-dichloro-1-methylimidazol-1-ium-2-carboxylic acid Traditional Name: 1-benzoyl-4,5-dichloro-1-methyl-imidazol-1-ium-2-carboxylic acid Formula: C12H9Cl2N2O3+ MolecularWeight: 300.11746

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(N=C1C(=O)O)Cl)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

C[N+]1(C(=C(N=C1C(=O)O)Cl)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H8Cl2N2O3/c1-16(11(17)7-5-3-2-4-6-7)9(14)8(13)15-10(16)12(18)19/h2-6H,1H3/p+1