dimethyl 3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran-5,6-dicarboxylate

Systemtic Name: dimethyl 3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran-5,6-dicarboxylate Openeye Name: dimethyl 3-methyl-3-phenyl-4-(trifluoromethyl)-1H-isobenzofuran-5,6-dicarboxylate CAS Name: 3-methyl-3-phenyl-4-(trifluoromethyl)-1H-isobenzofuran-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-3-phenyl-4-(trifluoromethyl)-1H-2-benzofuran-5,6-dicarboxylate Traditional Name: 1-methyl-1-phenyl-7-(trifluoromethyl)phthalan-5,6-dicarboxylic acid dimethyl ester Formula: C20H17F3O5 MolecularWeight: 394.34119

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CO1)C=C(C(=C2C(F)(F)F)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1(C2=C(CO1)C=C(C(=C2C(F)(F)F)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17F3O5/c1-19(12-7-5-4-6-8-12)15-11(10-28-19)9-13(17(24)26-2)14(18(25)27-3)16(15)20(21,22)23/h4-9H,10H2,1-3H3