7-(3-methylbut-2-enyl)-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: 7-(3-methylbut-2-enyl)-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: 2-[(1E)-1,5-dimethylhexa-1,4-dienyl]-7-(3-methylbut-2-enyl)-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: 7-(3-methylbut-2-enyl)-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: 7-(3-methylbut-2-enyl)-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: 2-[(1E)-1,5-dimethylhexa-1,4-dienyl]-7-(3-methylbut-2-enyl)coumaran-5-carboxylic acid Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC=C(C)C1CC2=C(O1)C(=CC(=C2)C(=O)O)CC=C(C)C)C

Isomeric SMILES

CC(=CC/C=C(\C)/C1CC2=C(O1)C(=CC(=C2)C(=O)O)CC=C(C)C)C

InChI

InChI=1S/C22H28O3/c1-14(2)7-6-8-16(5)20-13-18-12-19(22(23)24)11-17(21(18)25-20)10-9-15(3)4/h7-9,11-12,20H,6,10,13H2,1-5H3,(H,23,24)/b16-8+