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

Systemtic Name: 3-(5-chloranyl-2-ethylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-chloro-2-ethylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-chloro-2-ethylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-chloro-2-ethylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(5-chloro-2-esyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C12H11ClN2O4S MolecularWeight: 314.74474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O4S/c1-2-20(18,19)11-4-3-7(13)5-8(11)9-6-10(12(16)17)15-14-9/h3-6H,2H2,1H3,(H,14,15)(H,16,17)