3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[[3-(trifluoromethyl)phenyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[[3-(trifluoromethyl)phenyl]thio]methyl]-2-furoic acid Formula: C13H9F3O3S MolecularWeight: 302.26897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=C(OC=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=C(OC=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3O3S/c14-13(15,16)9-2-1-3-10(6-9)20-7-8-4-5-19-11(8)12(17)18/h1-6H,7H2,(H,17,18)