methyl sulfate; 3,4,5-tris(bromanyl)-1,2-dimethyl-pyrazol-1-ium

Systemtic Name: methyl sulfate; 3,4,5-tris(bromanyl)-1,2-dimethyl-pyrazol-1-ium Openeye Name: methyl sulfate; 3,4,5-tribromo-1,2-dimethyl-pyrazol-1-ium CAS Name: methyl sulfate; 3,4,5-tribromo-1,2-dimethylpyrazol-1-ium IUPAC Name: methyl sulfate; 3,4,5-tribromo-1,2-dimethylpyrazol-1-ium Traditional Name: methyl sulfate; 3,4,5-tribromo-1,2-dimethyl-pyrazol-1-ium Formula: C6H9Br3N2O4S MolecularWeight: 444.92366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)Br)Br)Br.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=C(C(=[N+]1C)Br)Br)Br.COS(=O)(=O)[O-]

InChI

InChI=1S/C5H6Br3N2.CH4O4S/c1-9-4(7)3(6)5(8)10(9)2;1-5-6(2,3)4/h1-2H3;1H3,(H,2,3,4)/q+1;/p-1