4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]cyclohexan-1-one

Systemtic Name: 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]cyclohexan-1-one Openeye Name: 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]cyclohexanone CAS Name: 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]-1-cyclohexanone IUPAC Name: 4-[4-[2-(4-pentylphenyl)ethynyl]phenyl]cyclohexan-1-one Traditional Name: 4-[4-[2-(4-amylphenyl)ethynyl]phenyl]cyclohexanone Formula: C25H28O MolecularWeight: 344.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=O)CC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=O)CC3

InChI

InChI=1S/C25H28O/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h6-9,12-15,24H,2-5,16-19H2,1H3