2-[2-(3-fluoranyl-4-propan-2-ylsulfonyl-phenyl)-4-(trifluoromethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(3-fluoranyl-4-propan-2-ylsulfonyl-phenyl)-4-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(3-fluoro-4-isopropylsulfonyl-phenyl)-4-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-[2-(3-fluoro-4-propan-2-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-[2-(3-fluoro-4-propan-2-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-[2-(3-fluoro-4-isopropylsulfonyl-phenyl)-4-(trifluoromethyl)phenoxy]acetic acid Formula: C18H16F4O5S MolecularWeight: 420.375253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)OCC(=O)O)F

InChI

InChI=1S/C18H16F4O5S/c1-10(2)28(25,26)16-6-3-11(7-14(16)19)13-8-12(18(20,21)22)4-5-15(13)27-9-17(23)24/h3-8,10H,9H2,1-2H3,(H,23,24)