4-[5-methyl-4-(3-methyl-2-methylidene-5-oxidanylidene-1H-pyrazol-2-ium-4-yl)-3-oxidanyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[5-methyl-4-(3-methyl-2-methylidene-5-oxidanylidene-1H-pyrazol-2-ium-4-yl)-3-oxidanyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[3-hydroxy-5-methyl-4-(3-methyl-2-methylene-5-oxo-1H-pyrazol-2-ium-4-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[3-hydroxy-5-methyl-4-(3-methyl-2-methylene-5-oxo-1H-pyrazol-2-ium-4-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[3-hydroxy-5-methyl-4-(3-methyl-2-methylidene-5-oxo-1H-pyrazol-2-ium-4-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-hydroxy-4-(3-keto-5-methyl-1-methylene-3-pyrazolin-1-ium-4-yl)-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C15H17N4O5S+ MolecularWeight: 365.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1C2=C([N+](=C)NC2=O)C)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(C1C2=C([N+](=C)NC2=O)C)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C15H16N4O5S/c1-8-12(13-9(2)18(3)17-14(13)20)15(21)19(16-8)10-4-6-11(7-5-10)25(22,23)24/h4-7,12,15,21H,3H2,1-2H3,(H-,17,20,22,23,24)/p+1