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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)CC(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)CC(=N2)C(=O)O

InChI

InChI=1S/C11H10N2O6S/c1-6-4-7(20(17,18)19)2-3-9(6)13-10(14)5-8(12-13)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H,17,18,19)