[3-(2-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate

Systemtic Name: [3-(2-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Openeye Name: [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [3-(2-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H18ClF3O4 MolecularWeight: 438.82413

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H18ClF3O4/c1-3-12(4-2)21(28)29-13-9-10-15-17(11-13)30-20(22(24,25)26)18(19(15)27)14-7-5-6-8-16(14)23/h5-12H,3-4H2,1-2H3