ethyl 5-[6-ethyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate

Systemtic Name: ethyl 5-[6-ethyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate Openeye Name: ethyl 5-[6-ethyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate CAS Name: 5-[6-ethyl-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[6-ethyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate Traditional Name: 5-[6-ethyl-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylic acid ethyl ester Formula: C19H15F3O6 MolecularWeight: 396.31401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(O3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(O3)C(=O)OCC)O

InChI

InChI=1S/C19H15F3O6/c1-3-9-7-10-14(8-11(9)23)28-17(19(20,21)22)15(16(10)24)12-5-6-13(27-12)18(25)26-4-2/h5-8,23H,3-4H2,1-2H3