2-[3,4-bis(fluoranyl)phenyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 2-[(3,4-difluorophenyl)thio]-3-methylbutanoic acid IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(3,4-difluorophenyl)thio]-3-methyl-butyric acid Formula: C11H12F2O2S MolecularWeight: 246.273586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C11H12F2O2S/c1-6(2)10(11(14)15)16-7-3-4-8(12)9(13)5-7/h3-6,10H,1-2H3,(H,14,15)