cyclohexyl 4-(2-phenylethynyl)benzoate

Systemtic Name: cyclohexyl 4-(2-phenylethynyl)benzoate Openeye Name: cyclohexyl 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid cyclohexyl ester Formula: C21H20O2 MolecularWeight: 304.3823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O2/c22-21(23-20-9-5-2-6-10-20)19-15-13-18(14-16-19)12-11-17-7-3-1-4-8-17/h1,3-4,7-8,13-16,20H,2,5-6,9-10H2