4-hept-6-yn-2-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile

Systemtic Name: 4-hept-6-yn-2-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Openeye Name: 4-(1-methylhex-5-ynyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile CAS Name: 4-hept-6-yn-2-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile IUPAC Name: 4-hept-6-yn-2-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile Traditional Name: 4-(1-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)C(C)CCCC#C

Isomeric SMILES

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

InChI

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