3-(4-methyl-1-oxidanylidene-3H-pyrazol-1-ium-2-yl)benzenesulfonic acid

Systemtic Name: 3-(4-methyl-1-oxidanylidene-3H-pyrazol-1-ium-2-yl)benzenesulfonic acid Openeye Name: 3-(4-methyl-1-oxo-3H-pyrazol-1-ium-2-yl)benzenesulfonic acid CAS Name: 3-(4-methyl-1-oxo-3H-pyrazol-1-ium-2-yl)benzenesulfonic acid IUPAC Name: 3-(4-methyl-1-oxo-3H-pyrazol-1-ium-2-yl)benzenesulfonic acid Traditional Name: 3-(2-keto-4-methyl-3-pyrazolin-2-ium-1-yl)besylic acid Formula: C10H11N2O4S+ MolecularWeight: 255.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=O)N(C1)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C[N+](=O)N(C1)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O4S/c1-8-6-11(12(13)7-8)9-3-2-4-10(5-9)17(14,15)16/h2-5,7H,6H2,1H3/p+1