(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H19FO6 MolecularWeight: 398.381063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FO6/c1-2-13-9-17-15(10-22(27)29-20(17)11-19(13)25)12-28-21(26)8-7-18(24)14-3-5-16(23)6-4-14/h3-6,9-11,25H,2,7-8,12H2,1H3