(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H12F6O5 MolecularWeight: 446.296699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H12F6O5/c1-29-14-2-3-15-11(6-17(27)31-16(15)8-14)9-30-18(28)10-4-12(19(21,22)23)7-13(5-10)20(24,25)26/h2-8H,9H2,1H3