ethyl 5-[5,7-bis(oxidanyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[5,7-bis(oxidanyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[5,7-dihydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]benzofuran-2-carboxylate CAS Name: 5-[5,7-dihydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5,7-dihydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]-1-benzofuran-2-carboxylate Traditional Name: 5-[5,7-dihydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]coumarilic acid ethyl ester Formula: C21H13F3O7 MolecularWeight: 434.31893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)C3=C(OC4=CC(=CC(=C4C3=O)O)O)C(F)(F)F

InChI

InChI=1S/C21H13F3O7/c1-2-29-20(28)15-6-10-5-9(3-4-13(10)30-15)16-18(27)17-12(26)7-11(25)8-14(17)31-19(16)21(22,23)24/h3-8,25-26H,2H2,1H3