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

Systemtic Name: 4-(4-methylhex-5-ynyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-(4-methylhex-5-ynyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-(4-methylhex-5-ynyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-(4-methylhex-5-ynyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-(4-methylhex-5-ynyl)-1-propyl-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:

CCCC12COC(OC1)(OC2C#N)CCCC(C)C#C

Isomeric SMILES

CCCC12COC(OC1)(OC2C#N)CCCC(C)C#C

InChI

InChI=1S/C16H23NO3/c1-4-8-15-11-18-16(19-12-15,20-14(15)10-17)9-6-7-13(3)5-2/h2,13-14H,4,6-9,11-12H2,1,3H3