3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3H-2-benzofuran-1-one Openeye Name: 3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3H-isobenzofuran-1-one CAS Name: 3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3H-2-benzofuran-1-one Traditional Name: 3-[(1E)-2,6-dimethylhepta-1,5-dienyl]phthalide Formula: C17H20O2 MolecularWeight: 256.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC1C2=CC=CC=C2C(=O)O1)C)C

Isomeric SMILES

CC(=CCC/C(=C/C1C2=CC=CC=C2C(=O)O1)/C)C

InChI

InChI=1S/C17H20O2/c1-12(2)7-6-8-13(3)11-16-14-9-4-5-10-15(14)17(18)19-16/h4-5,7,9-11,16H,6,8H2,1-3H3/b13-11+