2-(thiocyanatomethyl)heptyl ethanoate

Systemtic Name: 2-(thiocyanatomethyl)heptyl ethanoate Openeye Name: 2-(thiocyanatomethyl)heptyl acetate CAS Name: acetic acid 2-(thiocyanatomethyl)heptyl ester IUPAC Name: 2-(thiocyanatomethyl)heptyl acetate Traditional Name: acetic acid 2-(thiocyanatomethyl)heptyl ester Formula: C11H19NO2S MolecularWeight: 229.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC(=O)C)CSC#N

Isomeric SMILES

CCCCCC(COC(=O)C)CSC#N

InChI

InChI=1S/C11H19NO2S/c1-3-4-5-6-11(8-15-9-12)7-14-10(2)13/h11H,3-8H2,1-2H3