3-methyl-1-nitro-4H-pyridine-4-sulfonic acid

Systemtic Name: 3-methyl-1-nitro-4H-pyridine-4-sulfonic acid Openeye Name: 3-methyl-1-nitro-4H-pyridine-4-sulfonic acid CAS Name: 3-methyl-1-nitro-4H-pyridine-4-sulfonic acid IUPAC Name: 3-methyl-1-nitro-4H-pyridine-4-sulfonic acid Traditional Name: 3-methyl-1-nitro-4H-pyridine-4-sulfonic acid Formula: C6H8N2O5S MolecularWeight: 220.20312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=CC1S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C=CC1S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H8N2O5S/c1-5-4-7(8(9)10)3-2-6(5)14(11,12)13/h2-4,6H,1H3,(H,11,12,13)