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

Systemtic Name: 4-hex-5-ynyl-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-hex-5-ynyl-1-isobutyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-hex-5-ynyl-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-hex-5-ynyl-1-(2-methylpropyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-hex-5-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)CCCCC#C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-5-6-7-8-16-18-11-15(12-19-16,9-13(2)3)14(10-17)20-16/h1,13-14H,5-9,11-12H2,2-3H3