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

Systemtic Name: 1-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 1-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 1-butyl-4-hex-5-ynyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-butyl-4-hex-5-ynyl-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:

CCCCC12COC(OC1)(OC2C#N)CCCCC#C

Isomeric SMILES

CCCCC12COC(OC1)(OC2C#N)CCCCC#C

InChI

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