2-cyano-2-(2-methylpropyl)hexanoate

Systemtic Name: 2-cyano-2-(2-methylpropyl)hexanoate Openeye Name: 2-cyano-2-isobutyl-hexanoate CAS Name: 2-cyano-2-(2-methylpropyl)hexanoate IUPAC Name: 2-cyano-2-(2-methylpropyl)hexanoate Traditional Name: 2-cyano-2-isobutyl-hexanoate Formula: C11H18NO2- MolecularWeight: 196.26612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C)(C#N)C(=O)[O-]

Isomeric SMILES

CCCCC(CC(C)C)(C#N)C(=O)[O-]

InChI

InChI=1S/C11H19NO2/c1-4-5-6-11(8-12,10(13)14)7-9(2)3/h9H,4-7H2,1-3H3,(H,13,14)/p-1