diethyl 4-(4-fluorophenyl)-4-oxidanyl-1-oxidanylidene-isochromene-3,3-dicarboxylate

Systemtic Name: diethyl 4-(4-fluorophenyl)-4-oxidanyl-1-oxidanylidene-isochromene-3,3-dicarboxylate Openeye Name: diethyl 4-(4-fluorophenyl)-4-hydroxy-1-oxo-isochromane-3,3-dicarboxylate CAS Name: 4-(4-fluorophenyl)-4-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(4-fluorophenyl)-4-hydroxy-1-oxoisochromene-3,3-dicarboxylate Traditional Name: 4-(4-fluorophenyl)-4-hydroxy-1-keto-isochroman-3,3-dicarboxylic acid diethyl ester Formula: C21H19FO7 MolecularWeight: 402.369763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2=CC=CC=C2C(=O)O1)(C3=CC=C(C=C3)F)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(C2=CC=CC=C2C(=O)O1)(C3=CC=C(C=C3)F)O)C(=O)OCC

InChI

InChI=1S/C21H19FO7/c1-3-27-18(24)21(19(25)28-4-2)20(26,13-9-11-14(22)12-10-13)16-8-6-5-7-15(16)17(23)29-21/h5-12,26H,3-4H2,1-2H3