5-[(E)-3,5-dimethylhex-3-en-1-ynyl]-2-benzofuran-1,3-dione

Systemtic Name: 5-[(E)-3,5-dimethylhex-3-en-1-ynyl]-2-benzofuran-1,3-dione Openeye Name: 5-[(E)-3,5-dimethylhex-3-en-1-ynyl]isobenzofuran-1,3-dione CAS Name: 5-[(E)-3,5-dimethylhex-3-en-1-ynyl]isobenzofuran-1,3-dione IUPAC Name: 5-[(E)-3,5-dimethylhex-3-en-1-ynyl]-2-benzofuran-1,3-dione Traditional Name: 5-[(E)-3,5-dimethylhex-3-en-1-ynyl]phthalan-1,3-quinone Formula: C16H14O3 MolecularWeight: 254.28056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(C)C#CC1=CC2=C(C=C1)C(=O)OC2=O

Isomeric SMILES

CC(C)/C=C(\C)/C#CC1=CC2=C(C=C1)C(=O)OC2=O

InChI

InChI=1S/C16H14O3/c1-10(2)8-11(3)4-5-12-6-7-13-14(9-12)16(18)19-15(13)17/h6-10H,1-3H3/b11-8+