5,5-dimethyl-2-[[2-(2-phenylethynyl)phenyl]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[2-(2-phenylethynyl)phenyl]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[2-(2-phenylethynyl)phenyl]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[2-(2-phenylethynyl)phenyl]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[2-(2-phenylethynyl)phenyl]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-(2-phenylethynyl)benzylidene]cyclohexane-1,3-quinone Formula: C23H20O2 MolecularWeight: 328.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CC=CC=C2C#CC3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CC=CC=C2C#CC3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C23H20O2/c1-23(2)15-21(24)20(22(25)16-23)14-19-11-7-6-10-18(19)13-12-17-8-4-3-5-9-17/h3-11,14H,15-16H2,1-2H3