3-(5-chloranyl-2-methylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-chloro-2-methylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-chloro-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-chloro-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(5-chloro-2-mesyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C11H9ClN2O4S MolecularWeight: 300.71816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)Cl)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)Cl)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C11H9ClN2O4S/c1-19(17,18)10-3-2-6(12)4-7(10)8-5-9(11(15)16)14-13-8/h2-5H,1H3,(H,13,14)(H,15,16)