O6-butyl O1-ethyl 2-cyanohexanedioate

Systemtic Name: O6-butyl O1-ethyl 2-cyanohexanedioate Openeye Name: O6-butyl O1-ethyl 2-cyanohexanedioate CAS Name: 2-cyanohexanedioic acid O6-butyl ester O1-ethyl ester IUPAC Name: 6-O-butyl 1-O-ethyl 2-cyanohexanedioate Traditional Name: 2-cyanoadipic acid O6-butyl ester O1-ethyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCC(C#N)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)CCCC(C#N)C(=O)OCC

InChI

InChI=1S/C13H21NO4/c1-3-5-9-18-12(15)8-6-7-11(10-14)13(16)17-4-2/h11H,3-9H2,1-2H3