nonyl 2-thiocyanatoethanoate

Systemtic Name: nonyl 2-thiocyanatoethanoate Openeye Name: nonyl 2-thiocyanatoacetate CAS Name: 2-thiocyanatoacetic acid nonyl ester IUPAC Name: nonyl 2-thiocyanatoacetate Traditional Name: 2-thiocyanatoacetic acid nonyl ester Formula: C12H21NO2S MolecularWeight: 243.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)CSC#N

Isomeric SMILES

CCCCCCCCCOC(=O)CSC#N

InChI

InChI=1S/C12H21NO2S/c1-2-3-4-5-6-7-8-9-15-12(14)10-16-11-13/h2-10H2,1H3