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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)SCC2=C(C=CO2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1F)SCC2=C(C=CO2)C(=O)O)F

InChI

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