1-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]imidazol-1-ium-2-sulfonic acid

Systemtic Name: 1-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]imidazol-1-ium-2-sulfonic acid Openeye Name: 1-methyl-3-[2-oxo-2-(p-tolyl)ethyl]imidazol-1-ium-2-sulfonic acid CAS Name: 1-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-2-imidazol-1-iumsulfonic acid IUPAC Name: 1-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazol-1-ium-2-sulfonic acid Traditional Name: 1-[2-keto-2-(p-tolyl)ethyl]-3-methyl-imidazol-3-ium-2-sulfonic acid Formula: C13H15N2O4S+ MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=C[N+](=C2S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=C[N+](=C2S(=O)(=O)O)C

InChI

InChI=1S/C13H14N2O4S/c1-10-3-5-11(6-4-10)12(16)9-15-8-7-14(2)13(15)20(17,18)19/h3-8H,9H2,1-2H3/p+1