6-phenacylsulfanylpyridine-3-sulfonic acid

Systemtic Name: 6-phenacylsulfanylpyridine-3-sulfonic acid Openeye Name: 6-phenacylsulfanylpyridine-3-sulfonic acid CAS Name: 6-(phenacylthio)-3-pyridinesulfonic acid IUPAC Name: 6-phenacylsulfanylpyridine-3-sulfonic acid Traditional Name: 6-(phenacylthio)pyridine-3-sulfonic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC=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)