5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-2-furoic acid Formula: C13H9F3O4S MolecularWeight: 318.26837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)CC2=CC=C(O2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)CC2=CC=C(O2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3O4S/c14-13(15,16)8-2-1-3-10(6-8)21(19)7-9-4-5-11(20-9)12(17)18/h1-6H,7H2,(H,17,18)