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

Systemtic Name: 2-[2-[2-fluoranyl-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[2-fluoro-4-(4-fluorophenyl)sulfonyl-phenyl]-4-methyl-phenoxy]acetic acid CAS Name: 2-[2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenoxy]acetic acid IUPAC Name: 2-[2-[2-fluoro-4-(4-fluorophenyl)sulfonylphenyl]-4-methylphenoxy]acetic acid Traditional Name: 2-[2-[2-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=C(C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

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

InChI

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