4-bromanyl-1-[2,4-dimethyl-6-(trioxidanylsulfanyl)pyridin-3-yl]butane-1,2-dione

Systemtic Name: 4-bromanyl-1-[2,4-dimethyl-6-(trioxidanylsulfanyl)pyridin-3-yl]butane-1,2-dione Openeye Name: 4-bromo-1-[2,4-dimethyl-6-(trioxidanylsulfanyl)-3-pyridyl]butane-1,2-dione CAS Name: 5-(4-bromo-1,2-dioxobutyl)-4,6-dimethyl-2-pyridinesulfenic acid hydroperoxy ester IUPAC Name: 4-bromo-1-[2,4-dimethyl-6-(trioxidanylsulfanyl)pyridin-3-yl]butane-1,2-dione Traditional Name: 4-bromo-1-[2,4-dimethyl-6-(trioxidanylthio)-3-pyridyl]butane-1,2-dione Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)C(=O)CCBr)C)SOOO

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)C(=O)CCBr)C)SOOO

InChI

InChI=1S/C11H12BrNO5S/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