6-azaniumyl-5-bromanyl-pyridine-3-sulfonate

Systemtic Name: 6-azaniumyl-5-bromanyl-pyridine-3-sulfonate Openeye Name: 6-azaniumyl-5-bromo-pyridine-3-sulfonate CAS Name: 6-ammonio-5-bromo-3-pyridinesulfonate IUPAC Name: 6-azaniumyl-5-bromopyridine-3-sulfonate Traditional Name: 6-ammonio-5-bromo-pyridine-3-sulfonate Formula: C5H5BrN2O3S MolecularWeight: 253.0738

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Br)[NH3+])S(=O)(=O)[O-]

Isomeric SMILES

C1=C(C=NC(=C1Br)[NH3+])S(=O)(=O)[O-]

InChI

InChI=1S/C5H5BrN2O3S/c6-4-1-3(12(9,10)11)2-8-5(4)7/h1-2H,(H2,7,8)(H,9,10,11)