4-(2-phenylethynyl)-5-propyl-3H-2-benzofuran-1-one

Systemtic Name: 4-(2-phenylethynyl)-5-propyl-3H-2-benzofuran-1-one Openeye Name: 4-(2-phenylethynyl)-5-propyl-3H-isobenzofuran-1-one CAS Name: 4-(2-phenylethynyl)-5-propyl-3H-isobenzofuran-1-one IUPAC Name: 4-(2-phenylethynyl)-5-propyl-3H-2-benzofuran-1-one Traditional Name: 4-(2-phenylethynyl)-5-propyl-phthalide Formula: C19H16O2 MolecularWeight: 276.32914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1)C(=O)OC2)C#CC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C2=C(C=C1)C(=O)OC2)C#CC3=CC=CC=C3

InChI

InChI=1S/C19H16O2/c1-2-6-15-10-12-17-18(13-21-19(17)20)16(15)11-9-14-7-4-3-5-8-14/h3-5,7-8,10,12H,2,6,13H2,1H3