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

Systemtic Name: 2-[6-oxidanyl-7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-hydroxy-7-(2,4,6-trimethylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-hydroxy-7-[oxo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-hydroxy-7-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-hydroxy-7-(2,4,6-trimethylbenzoyl)coumaran-5-yl]propionic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2O)C(C)C(=O)O)CCO3)C

InChI

InChI=1S/C21H22O5/c1-10-7-11(2)16(12(3)8-10)19(23)17-18(22)15(13(4)21(24)25)9-14-5-6-26-20(14)17/h7-9,13,22H,5-6H2,1-4H3,(H,24,25)