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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COCOC1C.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCCCC1COCOC1C.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C12H24O2.C7H3N/c1-3-4-5-6-7-8-12-9-13-10-14-11(12)2;8-4-6-3-5-1-2-7(5)6/h11-12H,3-10H2,1-2H3;1-3H