[(E)-4-oxidanylidene-4-(pyridin-1-ium-1-ylsulfonyloxysulfonylamino)but-2-enoyl]sulfamoyl pyridin-1-ium-1-sulfonate

Systemtic Name: [(E)-4-oxidanylidene-4-(pyridin-1-ium-1-ylsulfonyloxysulfonylamino)but-2-enoyl]sulfamoyl pyridin-1-ium-1-sulfonate Openeye Name: [(E)-4-oxo-4-(pyridin-1-ium-1-ylsulfonyloxysulfonylamino)but-2-enoyl]sulfamoyl pyridin-1-ium-1-sulfonate CAS Name: 1-pyridin-1-iumsulfonic acid [(E)-1,4-dioxo-4-(1-pyridin-1-iumylsulfonyloxysulfonylamino)but-2-enyl]sulfamoyl ester IUPAC Name: [(E)-4-oxo-4-(pyridin-1-ium-1-ylsulfonyloxysulfonylamino)but-2-enoyl]sulfamoyl pyridin-1-ium-1-sulfonate Traditional Name: pyridin-1-ium-1-sulfonic acid [(E)-4-keto-4-(pyridin-1-ium-1-ylsulfonyloxysulfonylamino)but-2-enoyl]sulfamoyl ester Formula: C14H14N4O12S4+2 MolecularWeight: 558.54056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)S(=O)(=O)OS(=O)(=O)NC(=O)C=CC(=O)NS(=O)(=O)OS(=O)(=O)[N+]2=CC=CC=C2

Isomeric SMILES

C1=CC=[N+](C=C1)S(=O)(=O)OS(=O)(=O)NC(=O)/C=C/C(=O)NS(=O)(=O)OS(=O)(=O)[N+]2=CC=CC=C2

InChI

InChI=1S/C14H12N4O12S4/c19-13(15-31(21,22)29-33(25,26)17-9-3-1-4-10-17)7-8-14(20)16-32(23,24)30-34(27,28)18-11-5-2-6-12-18/h1-12H/p+2/b8-7+