[2-butyl-2-(thiocyanatomethyl)hexyl] ethanoate

Systemtic Name: [2-butyl-2-(thiocyanatomethyl)hexyl] ethanoate Openeye Name: [2-butyl-2-(thiocyanatomethyl)hexyl] acetate CAS Name: acetic acid [2-butyl-2-(thiocyanatomethyl)hexyl] ester IUPAC Name: [2-butyl-2-(thiocyanatomethyl)hexyl] acetate Traditional Name: acetic acid [2-butyl-2-(thiocyanatomethyl)hexyl] ester Formula: C14H25NO2S MolecularWeight: 271.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(COC(=O)C)CSC#N

Isomeric SMILES

CCCCC(CCCC)(COC(=O)C)CSC#N

InChI

InChI=1S/C14H25NO2S/c1-4-6-8-14(9-7-5-2,11-18-12-15)10-17-13(3)16/h4-11H2,1-3H3