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

Systemtic Name: 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexan-1-one Openeye Name: 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexanone CAS Name: 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]-1-cyclohexanone IUPAC Name: 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexan-1-one Traditional Name: 4-[4-[2-(4-hexylphenyl)ethynyl]phenyl]cyclohexanone Formula: C26H30O MolecularWeight: 358.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=O)CC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3CCC(=O)CC3

InChI

InChI=1S/C26H30O/c1-2-3-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)25-17-19-26(27)20-18-25/h7-10,13-16,25H,2-6,17-20H2,1H3