bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-octyl-1,4-dioxane

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-octyl-1,4-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-octyl-1,4-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 2-octyl-1,4-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-octyl-1,4-dioxane Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-octyl-1,4-dioxane Formula: C19H27NO2 MolecularWeight: 301.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COCCO1.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCCCCC1COCCO1.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C12H24O2.C7H3N/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12;8-4-6-3-5-1-2-7(5)6/h12H,2-11H2,1H3;1-3H