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

Systemtic Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] ester IUPAC Name: [4-(2-phenylethynyl)-3-prop-1-ynylphenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-(2-phenylethynyl)-3-prop-1-ynyl-phenyl] ester Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CC

InChI

InChI=1S/C28H30O2/c1-3-5-10-23-14-17-25(18-15-23)28(29)30-27-20-19-24(26(21-27)9-4-2)16-13-22-11-7-6-8-12-22/h6-8,11-12,19-21,23,25H,3,5,10,14-15,17-18H2,1-2H3