4-ethynyl-5-phenyl-2-benzofuran-1,3-dione

Systemtic Name: 4-ethynyl-5-phenyl-2-benzofuran-1,3-dione Openeye Name: 4-ethynyl-5-phenyl-isobenzofuran-1,3-dione CAS Name: 4-ethynyl-5-phenylisobenzofuran-1,3-dione IUPAC Name: 4-ethynyl-5-phenyl-2-benzofuran-1,3-dione Traditional Name: 4-ethynyl-5-phenyl-phthalan-1,3-quinone Formula: C16H8O3 MolecularWeight: 248.23292

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC2=C1C(=O)OC2=O)C3=CC=CC=C3

Isomeric SMILES

C#CC1=C(C=CC2=C1C(=O)OC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H8O3/c1-2-11-12(10-6-4-3-5-7-10)8-9-13-14(11)16(18)19-15(13)17/h1,3-9H