3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitro-1H-imidazol-3-ium Formula: C12H14N3O4S+ MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[N+]2=C(NC=C2[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[N+]2=C(NC=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C12H13N3O4S/c1-8-4-5-11(6-9(8)2)20(18,19)14-10(3)13-7-12(14)15(16)17/h4-7H,1-3H3/p+1