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

Systemtic Name: 3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 4-(trifluoromethyl)benzoate Openeye Name: 3-(6,7-dimethoxy-1-oxo-isochromen-3-yl)propyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid 3-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(6,7-dimethoxy-1-oxoisochromen-3-yl)propyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid 3-(1-keto-6,7-dimethoxy-isochromen-3-yl)propyl ester Formula: C22H19F3O6 MolecularWeight: 436.37787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3O6/c1-28-18-11-14-10-16(31-21(27)17(14)12-19(18)29-2)4-3-9-30-20(26)13-5-7-15(8-6-13)22(23,24)25/h5-8,10-12H,3-4,9H2,1-2H3