[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H12ClF3O6 MolecularWeight: 488.79669

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H12ClF3O6/c25-14-4-1-12(2-5-14)20-21(29)16-7-6-15(10-18(16)34-22(20)24(26,27)28)33-23(30)13-3-8-17-19(9-13)32-11-31-17/h1-10H,11H2