1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-cyclobutyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCC12OCC(CO1)(C(O2)C#N)C3CCC3

Isomeric SMILES

C#CCCCCC12OCC(CO1)(C(O2)C#N)C3CCC3

InChI

InChI=1S/C16H21NO3/c1-2-3-4-5-9-16-18-11-15(12-19-16,13-7-6-8-13)14(10-17)20-16/h1,13-14H,3-9,11-12H2