[4-(2-phenylethynyl)phenyl] 4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexane-1-carboxylate

Systemtic Name: [4-(2-phenylethynyl)phenyl] 4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexane-1-carboxylate Openeye Name: [4-(2-phenylethynyl)phenyl] 4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexanecarboxylate CAS Name: 4-[[4-(2-phenylethynyl)phenoxy]methoxy]-1-cyclohexanecarboxylic acid [4-(2-phenylethynyl)phenyl] ester IUPAC Name: [4-(2-phenylethynyl)phenyl] 4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(2-phenylethynyl)phenoxy]methoxy]cyclohexanecarboxylic acid [4-(2-phenylethynyl)phenyl] ester Formula: C36H30O4 MolecularWeight: 526.621

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OC2=CC=C(C=C2)C#CC3=CC=CC=C3)OCOC4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1C(=O)OC2=CC=C(C=C2)C#CC3=CC=CC=C3)OCOC4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

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