cyclohexyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate

Systemtic Name: cyclohexyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate Openeye Name: cyclohexyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-cyclohexylphenyl)ethynyl]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-cyclohexylphenyl)ethynyl]benzoic acid cyclohexyl ester Formula: C27H30O2 MolecularWeight: 386.5259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OC4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C27H30O2/c28-27(29-26-9-5-2-6-10-26)25-19-15-22(16-20-25)12-11-21-13-17-24(18-14-21)23-7-3-1-4-8-23/h13-20,23,26H,1-10H2