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

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-6-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-6-hydroxy-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-6-hydroxy-coumaran-5-yl]acetic acid Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2O)CC(=O)O)CCO3

InChI

InChI=1S/C23H26O6/c1-2-3-4-5-11-28-18-8-6-15(7-9-18)21(26)20-22(27)17(14-19(24)25)13-16-10-12-29-23(16)20/h6-9,13,27H,2-5,10-12,14H2,1H3,(H,24,25)