2-(2-chloranyl-6-methyl-4-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(2-chloranyl-6-methyl-4-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2-chloro-6-methyl-4-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2-chloro-6-methyl-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2-chloro-6-methyl-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2-chloro-6-methyl-4-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C11H9ClN2O6S MolecularWeight: 332.71696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=O)C=C(N2)C(=O)O)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=O)C=C(N2)C(=O)O)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H9ClN2O6S/c1-5-2-6(21(18,19)20)3-7(12)10(5)14-9(15)4-8(13-14)11(16)17/h2-4,13H,1H3,(H,16,17)(H,18,19,20)