(E,1Z,4Z)-N,N'-bis(pyridin-1-ium-1-ylsulfonyloxysulfonyl)but-2-enediimidate

Systemtic Name: (E,1Z,4Z)-N,N'-bis(pyridin-1-ium-1-ylsulfonyloxysulfonyl)but-2-enediimidate Openeye Name: (E,1Z,4Z)-N,N'-bis(pyridin-1-ium-1-ylsulfonyloxysulfonyl)but-2-enediimidate CAS Name: (E,1Z,4Z)-N,N'-bis(1-pyridin-1-iumylsulfonyloxysulfonyl)-2-butenediimidate IUPAC Name: (E,1Z,4Z)-N,N'-bis(pyridin-1-ium-1-ylsulfonyloxysulfonyl)but-2-enediimidate Traditional Name: (E,1Z,4Z)-N,N'-bis(pyridin-1-ium-1-ylsulfonyloxysulfonyl)but-2-enediimidate Formula: C14H12N4O12S4 MolecularWeight: 556.52468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/b8-7+