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

Systemtic Name: 2-(2-methyl-4-sulfo-phenyl)-3-oxidanylidene-pyrazole-1-carboxylic acid Openeye Name: 2-(2-methyl-4-sulfo-phenyl)-3-oxo-pyrazole-1-carboxylic acid CAS Name: 2-(2-methyl-4-sulfophenyl)-3-oxo-1-pyrazolecarboxylic acid IUPAC Name: 2-(2-methyl-4-sulfophenyl)-3-oxopyrazole-1-carboxylic acid Traditional Name: 3-keto-2-(2-methyl-4-sulfo-phenyl)-3-pyrazoline-1-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)C=CN2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C=CN2C(=O)O

InChI

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