3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium; trifluoromethanesulfonate CAS Name: 3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium; trifluoromethanesulfonate Traditional Name: 3-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium triflate Formula: C10H7F6NO3S2 MolecularWeight: 367.287899

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CSC2=C1C=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CSC2=C1C=C(C=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H7F3NS.CHF3O3S/c1-13-5-14-8-3-2-6(4-7(8)13)9(10,11)12;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)/q+1;/p-1