2-[bis(fluoranyl)methyl]-3-methylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-3-methylsulfonyl-4-phenyl-benzoic acid Openeye Name: 2-(difluoromethyl)-3-methylsulfonyl-4-phenyl-benzoic acid CAS Name: 2-(difluoromethyl)-3-methylsulfonyl-4-phenylbenzoic acid IUPAC Name: 2-(difluoromethyl)-3-methylsulfonyl-4-phenylbenzoic acid Traditional Name: 2-(difluoromethyl)-3-mesyl-4-phenyl-benzoic acid Formula: C15H12F2O4S MolecularWeight: 326.315186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1C(F)F)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1C(F)F)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H12F2O4S/c1-22(20,21)13-10(9-5-3-2-4-6-9)7-8-11(15(18)19)12(13)14(16)17/h2-8,14H,1H3,(H,18,19)