(3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(O2)CC(CC3=O)(C)C)C)C

InChI

InChI=1S/C20H22O4/c1-11-6-12(2)8-14(7-11)23-19(22)18-13(3)17-15(21)9-20(4,5)10-16(17)24-18/h6-8H,9-10H2,1-5H3