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

Systemtic Name: 3-[2-[4-ethylsulfonyl-2-(trifluoromethyl)phenoxy]-4-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[2-[4-ethylsulfonyl-2-(trifluoromethyl)phenoxy]-4-fluoro-phenyl]propanoic acid CAS Name: 3-[2-[4-ethylsulfonyl-2-(trifluoromethyl)phenoxy]-4-fluorophenyl]propanoic acid IUPAC Name: 3-[2-[4-ethylsulfonyl-2-(trifluoromethyl)phenoxy]-4-fluorophenyl]propanoic acid Traditional Name: 3-[2-[4-esyl-2-(trifluoromethyl)phenoxy]-4-fluoro-phenyl]propionic acid Formula: C18H16F4O5S MolecularWeight: 420.375253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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