[2-(2-phenylethynyl)phenyl] 3,3,5,5-tetramethylcyclohexene-1-carboxylate

Systemtic Name: [2-(2-phenylethynyl)phenyl] 3,3,5,5-tetramethylcyclohexene-1-carboxylate Openeye Name: [2-(2-phenylethynyl)phenyl] 3,3,5,5-tetramethylcyclohexene-1-carboxylate CAS Name: 3,3,5,5-tetramethyl-1-cyclohexenecarboxylic acid [2-(2-phenylethynyl)phenyl] ester IUPAC Name: [2-(2-phenylethynyl)phenyl] 3,3,5,5-tetramethylcyclohexene-1-carboxylate Traditional Name: 3,3,5,5-tetramethylcyclohexene-1-carboxylic acid [2-(2-phenylethynyl)phenyl] ester Formula: C25H26O2 MolecularWeight: 358.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(C1)(C)C)C(=O)OC2=CC=CC=C2C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(C1)(C)C)C(=O)OC2=CC=CC=C2C#CC3=CC=CC=C3)C

InChI

InChI=1S/C25H26O2/c1-24(2)16-21(17-25(3,4)18-24)23(26)27-22-13-9-8-12-20(22)15-14-19-10-6-5-7-11-19/h5-13,16H,17-18H2,1-4H3