1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[2-(difluoromethylsulfanyl)phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[2-(difluoromethylthio)phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[2-(difluoromethylsulfanyl)phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[2-(difluoromethylthio)phenyl]pyrrole-2-carboxylic acid Formula: C12H9F2NO2S MolecularWeight: 269.267166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=CC=C2C(=O)O)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C=CC=C2C(=O)O)SC(F)F

InChI

InChI=1S/C12H9F2NO2S/c13-12(14)18-10-6-2-1-4-8(10)15-7-3-5-9(15)11(16)17/h1-7,12H,(H,16,17)