ethyl 3-(2,4-dimethylphenyl)-5,6-dimethyl-4,7-bis(oxidanylidene)-2-benzofuran-1-carboxylate

Systemtic Name: ethyl 3-(2,4-dimethylphenyl)-5,6-dimethyl-4,7-bis(oxidanylidene)-2-benzofuran-1-carboxylate Openeye Name: ethyl 3-(2,4-dimethylphenyl)-5,6-dimethyl-4,7-dioxo-isobenzofuran-1-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-5,6-dimethyl-4,7-dioxo-1-isobenzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,4-dimethylphenyl)-5,6-dimethyl-4,7-dioxo-2-benzofuran-1-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-4,7-diketo-5,6-dimethyl-isobenzofuran-1-carboxylic acid ethyl ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(O1)C3=C(C=C(C=C3)C)C)C(=O)C(=C(C2=O)C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=C(O1)C3=C(C=C(C=C3)C)C)C(=O)C(=C(C2=O)C)C

InChI

InChI=1S/C21H20O5/c1-6-25-21(24)20-16-15(17(22)12(4)13(5)18(16)23)19(26-20)14-8-7-10(2)9-11(14)3/h7-9H,6H2,1-5H3