2-(fluoranylmethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2-(fluoranylmethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Formula: C10H11FN2O6S2 MolecularWeight: 338.332543

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])CF.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])CF.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H8FN2O2S.CH4O4S/c1-11-7-3-2-6(12(13)14)4-8(7)15-9(11)5-10;1-5-6(2,3)4/h2-4H,5H2,1H3;1H3,(H,2,3,4)/q+1;/p-1