hexyl 2-thiocyanatopropanoate

Systemtic Name: hexyl 2-thiocyanatopropanoate Openeye Name: hexyl 2-thiocyanatopropanoate CAS Name: 2-thiocyanatopropanoic acid hexyl ester IUPAC Name: hexyl 2-thiocyanatopropanoate Traditional Name: 2-thiocyanatopropionic acid hexyl ester Formula: C10H17NO2S MolecularWeight: 215.31248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)SC#N

Isomeric SMILES

CCCCCCOC(=O)C(C)SC#N

InChI

InChI=1S/C10H17NO2S/c1-3-4-5-6-7-13-10(12)9(2)14-8-11/h9H,3-7H2,1-2H3