2-[3-(2-cyano-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(2-cyano-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-[3-(2-cyano-4-ethylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]acetic acid CAS Name: 2-[3-(2-cyano-4-ethylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-[3-(2-cyano-4-ethylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-[3-(2-cyano-4-esyl-phenoxy)-5-(trifluoromethyl)phenyl]acetic acid Formula: C18H14F3NO5S MolecularWeight: 413.36767

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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)CC(=O)O)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)CC(=O)O)C#N

InChI

InChI=1S/C18H14F3NO5S/c1-2-28(25,26)15-3-4-16(12(8-15)10-22)27-14-6-11(7-17(23)24)5-13(9-14)18(19,20)21/h3-6,8-9H,2,7H2,1H3,(H,23,24)