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

Systemtic Name: 2-[7-(4-hexylphenyl)carbonyl-6-methyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexylbenzoyl)-6-methyl-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[7-[(4-hexylphenyl)-oxomethyl]-6-methyl-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexylbenzoyl)-6-methyl-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(4-hexylbenzoyl)-6-methyl-coumaran-5-yl]acetic acid Formula: C24H28O4 MolecularWeight: 380.47672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

InChI

InChI=1S/C24H28O4/c1-3-4-5-6-7-17-8-10-18(11-9-17)23(27)22-16(2)20(15-21(25)26)14-19-12-13-28-24(19)22/h8-11,14H,3-7,12-13,15H2,1-2H3,(H,25,26)