2,2-dimethyl-5-[[5-(2-phenylethynyl)furan-2-yl]methyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[[5-(2-phenylethynyl)furan-2-yl]methyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[[5-(2-phenylethynyl)-2-furyl]methyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[[5-(2-phenylethynyl)-2-furanyl]methyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[[5-(2-phenylethynyl)furan-2-yl]methyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[[5-(2-phenylethynyl)-2-furyl]methyl]-1,3-dioxane-4,6-quinone Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CC2=CC=C(O2)C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CC2=CC=C(O2)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C19H16O5/c1-19(2)23-17(20)16(18(21)24-19)12-15-11-10-14(22-15)9-8-13-6-4-3-5-7-13/h3-7,10-11,16H,12H2,1-2H3