4-[2-(4-ethylphenyl)ethynyl]-1-pentyl-bicyclo[2.2.2]octane

Systemtic Name: 4-[2-(4-ethylphenyl)ethynyl]-1-pentyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(4-ethylphenyl)ethynyl]-1-pentyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(4-ethylphenyl)ethynyl]-1-pentylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(4-ethylphenyl)ethynyl]-1-pentylbicyclo[2.2.2]octane Traditional Name: 1-amyl-4-[2-(4-ethylphenyl)ethynyl]bicyclo[2.2.2]octane Formula: C23H32 MolecularWeight: 308.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CC

InChI

InChI=1S/C23H32/c1-3-5-6-12-22-14-17-23(18-15-22,19-16-22)13-11-21-9-7-20(4-2)8-10-21/h7-10H,3-6,12,14-19H2,1-2H3