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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H16ClFO5 MolecularWeight: 402.800143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H16ClFO5/c1-12-8-19-16(10-17(12)22)14(9-21(26)28-19)11-27-20(25)7-6-18(24)13-2-4-15(23)5-3-13/h2-5,8-10H,6-7,11H2,1H3