4-(2-methylhex-5-ynyl)-1-prop-2-enyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 4-(2-methylhex-5-ynyl)-1-prop-2-enyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 1-allyl-4-(2-methylhex-5-ynyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-(2-methylhex-5-ynyl)-1-prop-2-enyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-(2-methylhex-5-ynyl)-1-prop-2-enyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 1-allyl-4-(2-methylhex-5-ynyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#C)CC12OCC(CO1)(C(O2)C#N)CC=C

Isomeric SMILES

CC(CCC#C)CC12OCC(CO1)(C(O2)C#N)CC=C

InChI

InChI=1S/C16H21NO3/c1-4-6-7-13(3)9-16-18-11-15(8-5-2,12-19-16)14(10-17)20-16/h1,5,13-14H,2,6-9,11-12H2,3H3