2-[3-chloranyl-5-[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]ethanoic acid Openeye Name: 2-[3-chloro-5-[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]acetic acid CAS Name: 2-[3-chloro-5-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-5-[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-chloro-5-[[4-esyl-2-(trifluoromethyl)phenyl]thio]phenyl]acetic acid Formula: C17H14ClF3O4S2 MolecularWeight: 438.86887

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=CC(=CC(=C2)CC(=O)O)Cl)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)SC2=CC(=CC(=C2)CC(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C17H14ClF3O4S2/c1-2-27(24,25)13-3-4-15(14(9-13)17(19,20)21)26-12-6-10(7-16(22)23)5-11(18)8-12/h3-6,8-9H,2,7H2,1H3,(H,22,23)