cyclohexyl 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoate

Systemtic Name: cyclohexyl 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoate Openeye Name: cyclohexyl 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoate CAS Name: 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoate Traditional Name: 4-[2-[4-(2-phenylethynyl)phenyl]ethyl]benzoic acid cyclohexyl ester Formula: C29H28O2 MolecularWeight: 408.53142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)CCC3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H28O2/c30-29(31-28-9-5-2-6-10-28)27-21-19-26(20-22-27)18-17-25-15-13-24(14-16-25)12-11-23-7-3-1-4-8-23/h1,3-4,7-8,13-16,19-22,28H,2,5-6,9-10,17-18H2