5-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(3,4-difluorophenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(3,4-difluorophenyl)thio]methyl]-2-furoic acid Formula: C12H8F2O3S MolecularWeight: 270.251926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCC2=CC=C(O2)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCC2=CC=C(O2)C(=O)O)F)F

InChI

InChI=1S/C12H8F2O3S/c13-9-3-2-8(5-10(9)14)18-6-7-1-4-11(17-7)12(15)16/h1-5H,6H2,(H,15,16)