2-chloranyl-5-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(4-chloranyl-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-(4-chloro-1-methyl-5-methylsulfonyl-pyrazol-3-yl)-4-fluoro-benzoic acid CAS Name: 2-chloro-5-(4-chloro-1-methyl-5-methylsulfonyl-3-pyrazolyl)-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-(4-chloro-1-methyl-5-methylsulfonylpyrazol-3-yl)-4-fluorobenzoic acid Traditional Name: 2-chloro-5-(4-chloro-5-mesyl-1-methyl-pyrazol-3-yl)-4-fluoro-benzoic acid Formula: C12H9Cl2FN2O4S MolecularWeight: 367.180263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)Cl)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)C(=O)O)Cl)S(=O)(=O)C

InChI

InChI=1S/C12H9Cl2FN2O4S/c1-17-11(22(2,20)21)9(14)10(16-17)6-3-5(12(18)19)7(13)4-8(6)15/h3-4H,1-2H3,(H,18,19)