[4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-ethylcyclohexane-1-carboxylate

Systemtic Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] ester IUPAC Name: [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] ester Formula: C26H26O2 MolecularWeight: 370.48344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

Isomeric SMILES

CCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

InChI

InChI=1S/C26H26O2/c1-3-8-24-19-25(28-26(27)23-15-11-20(4-2)12-16-23)18-17-22(24)14-13-21-9-6-5-7-10-21/h5-7,9-10,17-20,23H,4,11-12,15-16H2,1-2H3