2-[bis(fluoranyl)methyl]-4-chloranyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-4-chloranyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-(difluoromethyl)-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-(difluoromethyl)-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-(difluoromethyl)-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-(difluoromethyl)-5-mesyl-benzoic acid Formula: C9H7ClF2O4S MolecularWeight: 284.664286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)F)Cl

InChI

InChI=1S/C9H7ClF2O4S/c1-17(15,16)7-3-5(9(13)14)4(8(11)12)2-6(7)10/h2-3,8H,1H3,(H,13,14)