4-cyanobenzenesulfinate; 1-ethyl-3-methyl-imidazol-3-ium

Systemtic Name: 4-cyanobenzenesulfinate; 1-ethyl-3-methyl-imidazol-3-ium Openeye Name: 4-cyanobenzenesulfinate; 1-ethyl-3-methyl-imidazol-3-ium CAS Name: 4-cyanobenzenesulfinate; 1-ethyl-3-methylimidazol-3-ium IUPAC Name: 4-cyanobenzenesulfinate; 1-ethyl-3-methylimidazol-3-ium Traditional Name: 4-cyanobenzenesulfinate; 1-ethyl-3-methyl-imidazol-3-ium Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1)C.C1=CC(=CC=C1C#N)S(=O)[O-]

Isomeric SMILES

CCN1C=C[N+](=C1)C.C1=CC(=CC=C1C#N)S(=O)[O-]

InChI

InChI=1S/C7H5NO2S.C6H11N2/c8-5-6-1-3-7(4-2-6)11(9)10;1-3-8-5-4-7(2)6-8/h1-4H,(H,9,10);4-6H,3H2,1-2H3/q;+1/p-1