sodium 4-bromanyl-1-(2,4-dimethyl-6-oxidanidylperoxysulfanyl-pyridin-3-yl)butane-1,2-dione

Systemtic Name: sodium 4-bromanyl-1-(2,4-dimethyl-6-oxidanidylperoxysulfanyl-pyridin-3-yl)butane-1,2-dione Openeye Name: sodium 4-bromo-1-(2,4-dimethyl-6-oxidoperoxysulfanyl-3-pyridyl)butane-1,2-dione CAS Name: sodium 5-(4-bromo-1,2-dioxobutyl)-4,6-dimethyl-2-pyridinesulfenic acid oxidooxy ester IUPAC Name: sodium 4-bromo-1-(2,4-dimethyl-6-oxidoperoxysulfanylpyridin-3-yl)butane-1,2-dione Traditional Name: sodium 4-bromo-1-[2,4-dimethyl-6-(oxidoperoxythio)-3-pyridyl]butane-1,2-dione Formula: C11H11BrNNaO5S MolecularWeight: 372.16751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)C(=O)CCBr)C)SOO[O-].[Na+]

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)C(=O)CCBr)C)SOO[O-].[Na+]

InChI

InChI=1S/C11H12BrNO5S.Na/c1-6-5-9(19-18-17-16)13-7(2)10(6)11(15)8(14)3-4-12;/h5,16H,3-4H2,1-2H3;/q;+1/p-1