2-(1,3-dinitrooxypropan-2-yldisulfanyl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(1,3-dinitrooxypropan-2-yldisulfanyl)ethyl pyridine-3-carboxylate Openeye Name: 2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(1,3-dinitrooxypropan-2-yldisulfanyl)ethyl ester IUPAC Name: 2-(1,3-dinitrooxypropan-2-yldisulfanyl)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]ethyl ester Formula: C11H13N3O8S2 MolecularWeight: 379.36622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCCSSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCCSSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O8S2/c15-11(9-2-1-3-12-6-9)20-4-5-23-24-10(7-21-13(16)17)8-22-14(18)19/h1-3,6,10H,4-5,7-8H2