[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C20H12ClF3O6 MolecularWeight: 440.75389

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F)Cl)OC1

InChI

InChI=1S/C20H12ClF3O6/c21-14-6-10(7-16-18(14)28-5-1-4-27-16)19(26)29-11-2-3-12-13(20(22,23)24)9-17(25)30-15(12)8-11/h2-3,6-9H,1,4-5H2