1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane

Systemtic Name: 1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane Openeye Name: 1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane CAS Name: 1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane IUPAC Name: 1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane Traditional Name: 1-hexyl-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane Formula: C25H36 MolecularWeight: 336.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CCC

InChI

InChI=1S/C25H36/c1-3-5-6-7-14-24-16-19-25(20-17-24,21-18-24)15-13-23-11-9-22(8-4-2)10-12-23/h9-12H,3-8,14,16-21H2,1-2H3