ethyl 2-cyano-2-hexyl-octanoate

Systemtic Name: ethyl 2-cyano-2-hexyl-octanoate Openeye Name: ethyl 2-cyano-2-hexyl-octanoate CAS Name: 2-cyano-2-hexyloctanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-hexyloctanoate Traditional Name: 2-cyano-2-hexyl-caprylic acid ethyl ester Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C#N)C(=O)OCC

Isomeric SMILES

CCCCCCC(CCCCCC)(C#N)C(=O)OCC

InChI

InChI=1S/C17H31NO2/c1-4-7-9-11-13-17(15-18,16(19)20-6-3)14-12-10-8-5-2/h4-14H2,1-3H3