3-[4-chloranyl-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-chloranyl-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]propanoic acid Openeye Name: 3-[4-chloro-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]sulfanyl-phenyl]propanoic acid CAS Name: 3-[4-chloro-2-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]thio]phenyl]propanoic acid IUPAC Name: 3-[4-chloro-2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]sulfanylphenyl]propanoic acid Traditional Name: 3-[4-chloro-2-[[4-mesyl-2-(trifluoromethyl)phenyl]thio]phenyl]propionic acid Formula: C17H14ClF3O4S2 MolecularWeight: 438.86887

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)Cl)CCC(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)Cl)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C17H14ClF3O4S2/c1-27(24,25)12-5-6-14(13(9-12)17(19,20)21)26-15-8-11(18)4-2-10(15)3-7-16(22)23/h2,4-6,8-9H,3,7H2,1H3,(H,22,23)