(4-cyclohexyloxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate

Systemtic Name: (4-cyclohexyloxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate Openeye Name: [4-(cyclohexoxycarbonyl)cyclohexyl] 4-(2-phenylethynyl)benzoate CAS Name: 4-(2-phenylethynyl)benzoic acid [4-[cyclohexyloxy(oxo)methyl]cyclohexyl] ester IUPAC Name: (4-cyclohexyloxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate Traditional Name: 4-(2-phenylethynyl)benzoic acid [4-(cyclohexoxycarbonyl)cyclohexyl] ester Formula: C28H30O4 MolecularWeight: 430.5354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H30O4/c29-27(23-15-13-22(14-16-23)12-11-21-7-3-1-4-8-21)32-26-19-17-24(18-20-26)28(30)31-25-9-5-2-6-10-25/h1,3-4,7-8,13-16,24-26H,2,5-6,9-10,17-20H2