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

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 1-hexyl-4-methyl-benzene Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 1-hexyl-4-methyl-benzene CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienecarbonitrile; 1-hexyl-4-methylbenzene IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 1-hexyl-4-methylbenzene Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene-3-carbonitrile; 1-hexyl-4-methyl-benzene Formula: C20H23N MolecularWeight: 277.40332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C.C1=CC2=C1C=C2C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C.C1=CC2=C1C=C2C#N

InChI

InChI=1S/C13H20.C7H3N/c1-3-4-5-6-7-13-10-8-12(2)9-11-13;8-4-6-3-5-1-2-7(5)6/h8-11H,3-7H2,1-2H3;1-3H