2-carboxybenzoate; 1,3-dimethylimidazol-1-ium

Systemtic Name: 2-carboxybenzoate; 1,3-dimethylimidazol-1-ium Openeye Name: 2-carboxybenzoate; 1,3-dimethylimidazol-1-ium CAS Name: 2-carboxybenzoate; 1,3-dimethylimidazol-1-ium IUPAC Name: 2-carboxybenzoate; 1,3-dimethylimidazol-1-ium Traditional Name: 2-carboxybenzoate; 1,3-dimethylimidazol-1-ium Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1)C.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

Isomeric SMILES

CN1C=C[N+](=C1)C.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C8H6O4.C5H9N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-6-3-4-7(2)5-6/h1-4H,(H,9,10)(H,11,12);3-5H,1-2H3/q;+1/p-1