2-[6-methyl-7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-7-(2,4,6-trimethylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-methyl-7-[oxo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-methyl-7-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-methyl-7-(2,4,6-trimethylbenzoyl)coumaran-5-yl]acetic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3)C

InChI

InChI=1S/C21H22O4/c1-11-7-12(2)18(13(3)8-11)20(24)19-14(4)16(10-17(22)23)9-15-5-6-25-21(15)19/h7-9H,5-6,10H2,1-4H3,(H,22,23)