1-oxidanidyl-3,6-bis[(phenylmethyl)sulfonyl]pyridazin-1-ium

Systemtic Name: 1-oxidanidyl-3,6-bis[(phenylmethyl)sulfonyl]pyridazin-1-ium Openeye Name: 3,6-bis(benzylsulfonyl)-1-oxido-pyridazin-1-ium CAS Name: 1-oxido-3,6-bis[(phenylmethyl)sulfonyl]pyridazin-1-ium IUPAC Name: 3,6-bis(benzylsulfonyl)-1-oxidopyridazin-1-ium Traditional Name: 3,6-bis(benzylsulfonyl)-1-oxido-pyridazin-1-ium Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=N[N+](=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N2O5S2/c21-20-18(27(24,25)14-16-9-5-2-6-10-16)12-11-17(19-20)26(22,23)13-15-7-3-1-4-8-15/h1-12H,13-14H2