3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonate

Systemtic Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonate Openeye Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonate CAS Name: 3-[(4-nitro-1-pyridin-1-iumyl)oxy]-1-propanesulfonate IUPAC Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonate Traditional Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonate Formula: C8H10N2O6S MolecularWeight: 262.2398

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1[N+](=O)[O-])OCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1[N+](=O)[O-])OCCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H10N2O6S/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15/h2-5H,1,6-7H2