2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanoic acid

Systemtic Name: 2-[3-[bis(fluoranyl)methylsulfanyl]phenyl]-3-methyl-butanoic acid Openeye Name: 2-[3-(difluoromethylsulfanyl)phenyl]-3-methyl-butanoic acid CAS Name: 2-[3-(difluoromethylthio)phenyl]-3-methylbutanoic acid IUPAC Name: 2-[3-(difluoromethylsulfanyl)phenyl]-3-methylbutanoic acid Traditional Name: 2-[3-(difluoromethylthio)phenyl]-3-methyl-butyric acid Formula: C12H14F2O2S MolecularWeight: 260.300166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F2O2S/c1-7(2)10(11(15)16)8-4-3-5-9(6-8)17-12(13)14/h3-7,10,12H,1-2H3,(H,15,16)