(5-nitrooxy-1,2-dithian-4-yl) pyridine-3-carboxylate

Systemtic Name: (5-nitrooxy-1,2-dithian-4-yl) pyridine-3-carboxylate Openeye Name: (5-nitrooxydithian-4-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (5-nitrooxy-4-dithianyl) ester IUPAC Name: (5-nitrooxydithian-4-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (5-nitrooxydithian-4-yl) ester Formula: C10H10N2O5S2 MolecularWeight: 302.3268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CSS1)O[N+](=O)[O-])OC(=O)C2=CN=CC=C2

Isomeric SMILES

C1C(C(CSS1)O[N+](=O)[O-])OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H10N2O5S2/c13-10(7-2-1-3-11-4-7)16-8-5-18-19-6-9(8)17-12(14)15/h1-4,8-9H,5-6H2