5-[3,4-bis(chloranyl)-4-methyl-2-methylsulfonyl-3H-pyrazol-5-yl]-2-chloranyl-4-fluoranyl-benzoic acid

Systemtic Name: 5-[3,4-bis(chloranyl)-4-methyl-2-methylsulfonyl-3H-pyrazol-5-yl]-2-chloranyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-(3,4-dichloro-4-methyl-2-methylsulfonyl-3H-pyrazol-5-yl)-4-fluoro-benzoic acid CAS Name: 2-chloro-5-(3,4-dichloro-4-methyl-2-methylsulfonyl-3H-pyrazol-5-yl)-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-(3,4-dichloro-4-methyl-2-methylsulfonyl-3H-pyrazol-5-yl)-4-fluorobenzoic acid Traditional Name: 2-chloro-5-(4,5-dichloro-1-mesyl-4-methyl-2-pyrazolin-3-yl)-4-fluoro-benzoic acid Formula: C12H10Cl3FN2O4S MolecularWeight: 403.641203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)S(=O)(=O)C)Cl)Cl

Isomeric SMILES

CC1(C(N(N=C1C2=CC(=C(C=C2F)Cl)C(=O)O)S(=O)(=O)C)Cl)Cl

InChI

InChI=1S/C12H10Cl3FN2O4S/c1-12(15)9(17-18(11(12)14)23(2,21)22)6-3-5(10(19)20)7(13)4-8(6)16/h3-4,11H,1-2H3,(H,19,20)