6-phenacylsulfanylpyridin-1-ium-3-sulfonate

Systemtic Name: 6-phenacylsulfanylpyridin-1-ium-3-sulfonate Openeye Name: 6-phenacylsulfanylpyridin-1-ium-3-sulfonate CAS Name: 6-(phenacylthio)-3-pyridin-1-iumsulfonate IUPAC Name: 6-phenacylsulfanylpyridin-1-ium-3-sulfonate Traditional Name: 6-(phenacylthio)pyridin-1-ium-3-sulfonate Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=[NH+]C=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=[NH+]C=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H11NO4S2/c15-12(10-4-2-1-3-5-10)9-19-13-7-6-11(8-14-13)20(16,17)18/h1-8H,9H2,(H,16,17,18)