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

Systemtic Name: 2-(fluoranylmethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium Openeye Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium CAS Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium IUPAC Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium Traditional Name: 2-(fluoromethyl)-3-methyl-6-nitro-1,3-benzothiazol-3-ium Formula: C9H8FN2O2S+ MolecularWeight: 227.235423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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