4-methyl-3-oxidanylidene-2-(3-sulfophenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-methyl-3-oxidanylidene-2-(3-sulfophenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 4-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 4-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-4-methyl-1-(3-sulfophenyl)-3-pyrazoline-3-carboxylic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6S/c1-6-9(11(15)16)12-13(10(6)14)7-3-2-4-8(5-7)20(17,18)19/h2-5,12H,1H3,(H,15,16)(H,17,18,19)