4-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-2-ium-2-yl)benzenesulfonic acid

Systemtic Name: 4-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-2-ium-2-yl)benzenesulfonic acid Openeye Name: 4-(3-methyl-5-oxo-1,4-dihydropyrazol-2-ium-2-yl)benzenesulfonic acid CAS Name: 4-(3-methyl-5-oxo-1,4-dihydropyrazol-2-ium-2-yl)benzenesulfonic acid IUPAC Name: 4-(3-methyl-5-oxo-1,4-dihydropyrazol-2-ium-2-yl)benzenesulfonic acid Traditional Name: 4-(3-keto-5-methyl-2-pyrazolin-1-ium-1-yl)besylic acid Formula: C10H11N2O4S+ MolecularWeight: 255.27034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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