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

Systemtic Name: 2-[4-chloranyl-3-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[4-chloro-3-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]acetic acid CAS Name: 2-[4-chloro-3-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]acetic acid IUPAC Name: 2-[4-chloro-3-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]acetic acid Traditional Name: 2-[4-chloro-3-[4-mesyl-2-(trifluoromethyl)phenoxy]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=C(C=CC(=C2)CC(=O)O)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

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