[4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] 4-(2-phenylethynyl)benzoate

Systemtic Name: [4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] 4-(2-phenylethynyl)benzoate Openeye Name: [4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid [4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] ester IUPAC Name: [4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid [4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexyl] ester Formula: C36H30O4 MolecularWeight: 526.621

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1OCOC2=CC=C(C=C2)C#CC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1OCOC2=CC=C(C=C2)C#CC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C36H30O4/c37-36(32-19-15-30(16-20-32)13-11-28-7-3-1-4-8-28)40-35-25-23-34(24-26-35)39-27-38-33-21-17-31(18-22-33)14-12-29-9-5-2-6-10-29/h1-10,15-22,34-35H,23-27H2