3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(4-nitro-1-pyridin-1-iumyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(4-nitropyridin-1-ium-1-yl)oxypropane-1-sulfonic acid Formula: C8H11N2O6S+ MolecularWeight: 263.24774

Click to see the large picture

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/p+1