3,3,5,5-tetramethyl-6-(2-phenylethynyl)oxane-2,4-dione

Systemtic Name: 3,3,5,5-tetramethyl-6-(2-phenylethynyl)oxane-2,4-dione Openeye Name: 3,3,5,5-tetramethyl-6-(2-phenylethynyl)tetrahydropyran-2,4-dione CAS Name: 3,3,5,5-tetramethyl-6-(2-phenylethynyl)oxane-2,4-dione IUPAC Name: 3,3,5,5-tetramethyl-6-(2-phenylethynyl)oxane-2,4-dione Traditional Name: 3,3,5,5-tetramethyl-6-(2-phenylethynyl)tetrahydropyran-2,4-quinone Formula: C17H18O3 MolecularWeight: 270.32302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(=O)C(C1=O)(C)C)C#CC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(OC(=O)C(C1=O)(C)C)C#CC2=CC=CC=C2)C

InChI

InChI=1S/C17H18O3/c1-16(2)13(11-10-12-8-6-5-7-9-12)20-15(19)17(3,4)14(16)18/h5-9,13H,1-4H3