2-[2-[3-fluoranyl-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[3-fluoranyl-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[3-fluoro-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]acetic acid CAS Name: 2-[2-[3-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenoxy]acetic acid IUPAC Name: 2-[2-[3-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenoxy]acetic acid Traditional Name: 2-[2-[3-fluoro-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]acetic acid Formula: C21H16F2O5S MolecularWeight: 418.410546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C21H16F2O5S/c1-13-2-8-19(28-12-21(24)25)17(10-13)14-3-9-20(18(23)11-14)29(26,27)16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,24,25)