sodium; N-bromanylsulfamate; methylbenzene; trihydrate

Systemtic Name: sodium; N-bromanylsulfamate; methylbenzene; trihydrate Openeye Name: sodium; N-bromosulfamate; toluene; trihydrate CAS Name: sodium; N-bromosulfamate; toluene; trihydrate IUPAC Name: sodium; N-bromosulfamate; toluene; trihydrate Traditional Name: sodium; N-bromosulfamate; toluene; trihydrate Formula: C7H15BrNNaO6S MolecularWeight: 344.15587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.N(S(=O)(=O)[O-])Br.O.O.O.[Na+]

Isomeric SMILES

CC1=CC=CC=C1.N(S(=O)(=O)[O-])Br.O.O.O.[Na+]

InChI

InChI=1S/C7H8.BrH2NO3S.Na.3H2O/c1-7-5-3-2-4-6-7;1-2-6(3,4)5;;;;/h2-6H,1H3;2H,(H,3,4,5);;3*1H2/q;;+1;;;/p-1