(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H14F6O4 MolecularWeight: 444.323879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C21H14F6O4/c1-10-3-4-16-13(7-17(28)31-18(16)11(10)2)9-30-19(29)12-5-14(20(22,23)24)8-15(6-12)21(25,26)27/h3-8H,9H2,1-2H3