2-[6-fluoranyl-4-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-4-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]carbonyl-naphthalen-2-yl]ethanoic acid Openeye Name: 2-[6-fluoro-4-[4-methylsulfonyl-3-(trifluoromethyl)benzoyl]-2-naphthyl]acetic acid CAS Name: 2-[6-fluoro-4-[[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-oxomethyl]-2-naphthalenyl]acetic acid IUPAC Name: 2-[6-fluoro-4-[4-methylsulfonyl-3-(trifluoromethyl)benzoyl]naphthalen-2-yl]acetic acid Traditional Name: 2-[6-fluoro-4-[4-mesyl-3-(trifluoromethyl)benzoyl]-2-naphthyl]acetic acid Formula: C21H14F4O5S MolecularWeight: 454.391473

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)C2=C3C=C(C=CC3=CC(=C2)CC(=O)O)F)C(F)(F)F

InChI

InChI=1S/C21H14F4O5S/c1-31(29,30)18-5-3-13(9-17(18)21(23,24)25)20(28)16-7-11(8-19(26)27)6-12-2-4-14(22)10-15(12)16/h2-7,9-10H,8H2,1H3,(H,26,27)