2-[3-chloranyl-4-(trifluoromethylsulfanyl)phenyl]-3-methyl-butanoic acid

Systemtic Name: 2-[3-chloranyl-4-(trifluoromethylsulfanyl)phenyl]-3-methyl-butanoic acid Openeye Name: 2-[3-chloro-4-(trifluoromethylsulfanyl)phenyl]-3-methyl-butanoic acid CAS Name: 2-[3-chloro-4-(trifluoromethylthio)phenyl]-3-methylbutanoic acid IUPAC Name: 2-[3-chloro-4-(trifluoromethylsulfanyl)phenyl]-3-methylbutanoic acid Traditional Name: 2-[3-chloro-4-(trifluoromethylthio)phenyl]-3-methyl-butyric acid Formula: C12H12ClF3O2S MolecularWeight: 312.73569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=C(C=C1)SC(F)(F)F)Cl)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC(=C(C=C1)SC(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C12H12ClF3O2S/c1-6(2)10(11(17)18)7-3-4-9(8(13)5-7)19-12(14,15)16/h3-6,10H,1-2H3,(H,17,18)