2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethyl 4-(trifluoromethyl)benzoate

Systemtic Name: 2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethyl 4-(trifluoromethyl)benzoate Openeye Name: 2-(6,7-dimethoxy-1-oxo-isochromen-3-yl)ethyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid 2-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)ethyl ester IUPAC Name: 2-(6,7-dimethoxy-1-oxoisochromen-3-yl)ethyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid 2-(1-keto-6,7-dimethoxy-isochromen-3-yl)ethyl ester Formula: C21H17F3O6 MolecularWeight: 422.35129

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H17F3O6/c1-27-17-10-13-9-15(30-20(26)16(13)11-18(17)28-2)7-8-29-19(25)12-3-5-14(6-4-12)21(22,23)24/h3-6,9-11H,7-8H2,1-2H3