4-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-1-isobutyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-1-isobutyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC12COC(OC1)(OC2C#N)C#CC(C)(C)C

Isomeric SMILES

CC(C)CC12COC(OC1)(OC2C#N)C#CC(C)(C)C

InChI

InChI=1S/C16H23NO3/c1-12(2)8-15-10-18-16(19-11-15,20-13(15)9-17)7-6-14(3,4)5/h12-13H,8,10-11H2,1-5H3