2-butyl-3-[3-(trifluoromethylsulfonyloxy)phenyl]carbonyl-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-butyl-3-[3-(trifluoromethylsulfonyloxy)phenyl]carbonyl-1-benzofuran-5-carboxylic acid Openeye Name: 2-butyl-3-[3-(trifluoromethylsulfonyloxy)benzoyl]benzofuran-5-carboxylic acid CAS Name: 2-butyl-3-[oxo-[3-(trifluoromethylsulfonyloxy)phenyl]methyl]-5-benzofurancarboxylic acid IUPAC Name: 2-butyl-3-[3-(trifluoromethylsulfonyloxy)benzoyl]-1-benzofuran-5-carboxylic acid Traditional Name: 2-butyl-3-(3-triflyloxybenzoyl)benzofuran-5-carboxylic acid Formula: C21H17F3O7S MolecularWeight: 470.41569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)O)C(=O)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H17F3O7S/c1-2-3-7-17-18(15-11-13(20(26)27)8-9-16(15)30-17)19(25)12-5-4-6-14(10-12)31-32(28,29)21(22,23)24/h4-6,8-11H,2-3,7H2,1H3,(H,26,27)