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

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-heptyl-1,4-dioxane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-heptyl-1,4-dioxane CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 2-heptyl-1,4-dioxane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-heptyl-1,4-dioxane Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 2-heptyl-1,4-dioxane Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COCCO1.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCCCC1COCCO1.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C11H22O2.C7H3N/c1-2-3-4-5-6-7-11-10-12-8-9-13-11;8-4-6-3-5-1-2-7(5)6/h11H,2-10H2,1H3;1-3H