3-[4-fluoranyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-fluoranyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-fluoro-2-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]phenyl]propanoic acid CAS Name: 3-[4-fluoro-2-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-fluoro-2-[4-methylsulfonyl-3-(trifluoromethyl)phenoxy]phenyl]propanoic acid Traditional Name: 3-[4-fluoro-2-[4-mesyl-3-(trifluoromethyl)phenoxy]phenyl]propionic acid Formula: C17H14F4O5S MolecularWeight: 406.348673

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C17H14F4O5S/c1-27(24,25)15-6-5-12(9-13(15)17(19,20)21)26-14-8-11(18)4-2-10(14)3-7-16(22)23/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)