6-thiocyanatohexyl pyridine-3-carboxylate

Systemtic Name: 6-thiocyanatohexyl pyridine-3-carboxylate Openeye Name: 6-thiocyanatohexyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 6-thiocyanatohexyl ester IUPAC Name: 6-thiocyanatohexyl pyridine-3-carboxylate Traditional Name: nicotinic acid 6-thiocyanatohexyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCCCCCSC#N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCCCCCSC#N

InChI

InChI=1S/C13H16N2O2S/c14-11-18-9-4-2-1-3-8-17-13(16)12-6-5-7-15-10-12/h5-7,10H,1-4,8-9H2