2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]ethanoic acid; ethane

Systemtic Name: 2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]ethanoic acid; ethane Openeye Name: 2-[4-(difluoromethylsulfanyl)phenyl]acetic acid; ethane CAS Name: 2-[4-(difluoromethylthio)phenyl]acetic acid; ethane IUPAC Name: 2-[4-(difluoromethylsulfanyl)phenyl]acetic acid; ethane Traditional Name: 2-[4-(difluoromethylthio)phenyl]acetic acid; ethane Formula: C11H14F2O2S MolecularWeight: 248.289466

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1=CC(=CC=C1CC(=O)O)SC(F)F

Isomeric SMILES

CC.C1=CC(=CC=C1CC(=O)O)SC(F)F

InChI

InChI=1S/C9H8F2O2S.C2H6/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13;1-2/h1-4,9H,5H2,(H,12,13);1-2H3