sodium 4-bromanyl-1-(3,5-dimethyl-4-oxidanidylperoxysulfanyl-phenyl)butane-1,2-dione

Systemtic Name: sodium 4-bromanyl-1-(3,5-dimethyl-4-oxidanidylperoxysulfanyl-phenyl)butane-1,2-dione Openeye Name: sodium 4-bromo-1-(3,5-dimethyl-4-oxidoperoxysulfanyl-phenyl)butane-1,2-dione CAS Name: sodium 4-(4-bromo-1,2-dioxobutyl)-2,6-dimethylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 4-bromo-1-(3,5-dimethyl-4-oxidoperoxysulfanylphenyl)butane-1,2-dione Traditional Name: sodium 4-bromo-1-[3,5-dimethyl-4-(oxidoperoxythio)phenyl]butane-1,2-dione Formula: C12H12BrNaO5S MolecularWeight: 371.17945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOO[O-])C)C(=O)C(=O)CCBr.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1SOO[O-])C)C(=O)C(=O)CCBr.[Na+]

InChI

InChI=1S/C12H13BrO5S.Na/c1-7-5-9(11(15)10(14)3-4-13)6-8(2)12(7)19-18-17-16;/h5-6,16H,3-4H2,1-2H3;/q;+1/p-1