3-ethanoyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-1-benzofuran-2,5-dione

Systemtic Name: 3-ethanoyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-1-benzofuran-2,5-dione Openeye Name: 3-acetyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-benzofuran-2,5-dione CAS Name: 3-acetyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-benzofuran-2,5-dione IUPAC Name: 3-acetyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-1-benzofuran-2,5-dione Traditional Name: 3-acetyl-7a-(2-phenylethynyl)-3a,4-dihydro-3H-benzofuran-2,5-quinone Formula: C18H14O4 MolecularWeight: 294.30136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2CC(=O)C=CC2(OC1=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1C2CC(=O)C=CC2(OC1=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H14O4/c1-12(19)16-15-11-14(20)8-10-18(15,22-17(16)21)9-7-13-5-3-2-4-6-13/h2-6,8,10,15-16H,11H2,1H3