4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid; 5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid; 5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid; 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid; 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid; 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid; 5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C20H18N4O10S2 MolecularWeight: 538.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O.C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O.C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H8N2O6S.C10H10N2O4S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h1-4H,5H2,(H,14,15)(H,16,17,18);2-5H,6H2,1H3,(H,14,15,16)