(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[3-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[3-(trifluoromethyl)phenyl]ethanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate CAS Name: 2-[3-(trifluoromethyl)phenyl]acetic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-[3-(trifluoromethyl)phenyl]acetic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H17F3O5 MolecularWeight: 406.35189

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C21H17F3O5/c1-2-13-8-16-14(9-20(27)29-18(16)10-17(13)25)11-28-19(26)7-12-4-3-5-15(6-12)21(22,23)24/h3-6,8-10,25H,2,7,11H2,1H3