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4-thiocyanatopyridin-1-ium-3-sulfonate

4-thiocyanatopyridin-1-ium-3-sulfonate

Systemtic Name:4-thiocyanatopyridin-1-ium-3-sulfonate
Openeye Name:4-thiocyanatopyridin-1-ium-3-sulfonate
CAS Name:4-thiocyanato-3-pyridin-1-iumsulfonate
IUPAC Name:4-thiocyanatopyridin-1-ium-3-sulfonate
Traditional Name:4-thiocyanatopyridin-1-ium-3-sulfonate
Formula: C6H4N2O3S2
MolecularWeight: 216.23756
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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC(=C1SC#N)S(=O)(=O)[O-]


Isomeric SMILES

C1=C[NH+]=CC(=C1SC#N)S(=O)(=O)[O-]


InChI

InChI=1S/C6H4N2O3S2/c7-4-12-5-1-2-8-3-6(5)13(9,10)11/h1-3H,(H,9,10,11)


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