5-[[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate

Systemtic Name: 5-[[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate Openeye Name: 5-[[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylate IUPAC Name: 5-[[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxymethyl]-2-furoate Formula: C22H11ClF3O6- MolecularWeight: 463.76735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C22H12ClF3O6/c23-12-3-1-11(2-4-12)18-19(27)15-7-5-13(9-17(15)32-20(18)22(24,25)26)30-10-14-6-8-16(31-14)21(28)29/h1-9H,10H2,(H,28,29)/p-1