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

Systemtic Name: 5-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(3,4-difluorophenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(3,4-difluorophenyl)thio]methyl]-2-methyl-3-furoic acid Formula: C13H10F2O3S MolecularWeight: 284.278506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C13H10F2O3S/c1-7-10(13(16)17)4-8(18-7)6-19-9-2-3-11(14)12(15)5-9/h2-5H,6H2,1H3,(H,16,17)