2-[4-hexyl-2,5-bis(oxidanylidene)furan-3-yl]ethanenitrile

Systemtic Name: 2-[4-hexyl-2,5-bis(oxidanylidene)furan-3-yl]ethanenitrile Openeye Name: 2-(4-hexyl-2,5-dioxo-3-furyl)acetonitrile CAS Name: 2-(4-hexyl-2,5-dioxo-3-furanyl)acetonitrile IUPAC Name: 2-(4-hexyl-2,5-dioxofuran-3-yl)acetonitrile Traditional Name: 2-(4-hexyl-2,5-diketo-3-furyl)acetonitrile Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=O)OC1=O)CC#N

Isomeric SMILES

CCCCCCC1=C(C(=O)OC1=O)CC#N

InChI

InChI=1S/C12H15NO3/c1-2-3-4-5-6-9-10(7-8-13)12(15)16-11(9)14/h2-7H2,1H3