2-(5-hexyl-1-benzofuran-3-yl)ethanenitrile

Systemtic Name: 2-(5-hexyl-1-benzofuran-3-yl)ethanenitrile Openeye Name: 2-(5-hexylbenzofuran-3-yl)acetonitrile CAS Name: 2-(5-hexyl-3-benzofuranyl)acetonitrile IUPAC Name: 2-(5-hexyl-1-benzofuran-3-yl)acetonitrile Traditional Name: 2-(5-hexylbenzofuran-3-yl)acetonitrile Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)OC=C2CC#N

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)OC=C2CC#N

InChI

InChI=1S/C16H19NO/c1-2-3-4-5-6-13-7-8-16-15(11-13)14(9-10-17)12-18-16/h7-8,11-12H,2-6,9H2,1H3