2-[3-(2-chloranyl-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(2-chloranyl-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: 2-[3-(2-chloro-4-methylsulfonyl-phenoxy)-5-(trifluoromethyl)phenyl]acetic acid CAS Name: 2-[3-(2-chloro-4-methylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]acetic acid IUPAC Name: 2-[3-(2-chloro-4-methylsulfonylphenoxy)-5-(trifluoromethyl)phenyl]acetic acid Traditional Name: 2-[3-(2-chloro-4-mesyl-phenoxy)-5-(trifluoromethyl)phenyl]acetic acid Formula: C16H12ClF3O5S MolecularWeight: 408.77669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3O5S/c1-26(23,24)12-2-3-14(13(17)8-12)25-11-5-9(6-15(21)22)4-10(7-11)16(18,19)20/h2-5,7-8H,6H2,1H3,(H,21,22)