5-(2,3-dinitrooxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-(2,3-dinitrooxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 5-(2,3-dinitrooxypropyl)-2-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 5-(2,3-dinitrooxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 5-(2,3-dinitrooxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 5-(2,3-dinitrooxypropyl)-2-thioxo-1H-pyridine-3-carboxylic acid Formula: C9H9N3O8S MolecularWeight: 319.24806

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=S)NC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C(=S)NC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H9N3O8S/c13-9(14)7-2-5(3-10-8(7)21)1-6(20-12(17)18)4-19-11(15)16/h2-3,6H,1,4H2,(H,10,21)(H,13,14)