2-[3-(2-chloranyl-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-[3-(2-chloranyl-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-[3-(2-chloro-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-[3-(2-chloro-4-ethylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-[3-(2-chloro-4-esyl-phenoxy)-5-(trifluoromethyl)phenyl]propionic acid Formula: C18H16ClF3O5S MolecularWeight: 436.82985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3O5S/c1-3-28(25,26)14-4-5-16(15(19)9-14)27-13-7-11(10(2)17(23)24)6-12(8-13)18(20,21)22/h4-10H,3H2,1-2H3,(H,23,24)