3-[(E)-1,4-diphenylbut-1-en-3-ynyl]cyclohexan-1-one

Systemtic Name: 3-[(E)-1,4-diphenylbut-1-en-3-ynyl]cyclohexan-1-one Openeye Name: 3-[(E)-1,4-diphenylbut-1-en-3-ynyl]cyclohexanone CAS Name: 3-[(E)-1,4-diphenylbut-1-en-3-ynyl]-1-cyclohexanone IUPAC Name: 3-[(E)-1,4-diphenylbut-1-en-3-ynyl]cyclohexan-1-one Traditional Name: 3-[(E)-1,4-diphenylbut-1-en-3-ynyl]cyclohexanone Formula: C22H20O MolecularWeight: 300.3936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)C(=CC#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC(CC(=O)C1)/C(=C\C#CC2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C22H20O/c23-21-15-8-14-20(17-21)22(19-12-5-2-6-13-19)16-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-13,16,20H,8,14-15,17H2/b22-16-