butanenitrile; heptan-3-one

Systemtic Name: butanenitrile; heptan-3-one Openeye Name: butanenitrile; heptan-3-one CAS Name: butanenitrile; 3-heptanone IUPAC Name: butanenitrile; heptan-3-one Traditional Name: butyronitrile; heptan-3-one Formula: C11H21NO MolecularWeight: 183.29054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC.CCCC#N

Isomeric SMILES

CCCCC(=O)CC.CCCC#N

InChI

InChI=1S/C7H14O.C4H7N/c1-3-5-6-7(8)4-2;1-2-3-4-5/h3-6H2,1-2H3;2-3H2,1H3