4-[4-(2-phenylethynyl)phenyl]cyclohexan-1-one

Systemtic Name: 4-[4-(2-phenylethynyl)phenyl]cyclohexan-1-one Openeye Name: 4-[4-(2-phenylethynyl)phenyl]cyclohexanone CAS Name: 4-[4-(2-phenylethynyl)phenyl]-1-cyclohexanone IUPAC Name: 4-[4-(2-phenylethynyl)phenyl]cyclohexan-1-one Traditional Name: 4-[4-(2-phenylethynyl)phenyl]cyclohexanone Formula: C20H18O MolecularWeight: 274.35632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)CCC1C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H18O/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19H,12-15H2