disodium (5E)-1-butyl-4-methyl-5-[(3-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-2,6-bis(oxidanylidene)pyridine-3-sulfonate

Systemtic Name: disodium (5E)-1-butyl-4-methyl-5-[(3-oxidanidylperoxysulfanylphenyl)hydrazinylidene]-2,6-bis(oxidanylidene)pyridine-3-sulfonate Openeye Name: disodium (5E)-1-butyl-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)hydrazono]-2,6-dioxo-pyridine-3-sulfonate CAS Name: disodium (5E)-1-butyl-4-methyl-5-[[3-(oxidodioxythio)phenyl]hydrazinylidene]-2,6-dioxo-3-pyridinesulfonate IUPAC Name: disodium (5E)-1-butyl-4-methyl-5-[(3-oxidoperoxysulfanylphenyl)hydrazinylidene]-2,6-dioxopyridine-3-sulfonate Traditional Name: disodium (5E)-1-butyl-2,6-diketo-4-methyl-5-[[3-(oxidoperoxythio)phenyl]hydrazono]pyridine-3-sulfonate Formula: C16H17N3Na2O8S2 MolecularWeight: 489.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C(=NNC2=CC(=CC=C2)SOO[O-])C1=O)C)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCN1C(=O)C(=C(/C(=N\NC2=CC(=CC=C2)SOO[O-])/C1=O)C)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H19N3O8S2.2Na/c1-3-4-8-19-15(20)13(10(2)14(16(19)21)29(23,24)25)18-17-11-6-5-7-12(9-11)28-27-26-22;;/h5-7,9,17,22H,3-4,8H2,1-2H3,(H,23,24,25);;/q;2*+1/p-2/b18-13+;;