3-methyl-2-[2,2,2-tris(fluoranyl)ethyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[2,2,2-tris(fluoranyl)ethyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(2,2,2-trifluoroethyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(2,2,2-trifluoroethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(2,2,2-trifluoroethyl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(2,2,2-trifluoroethyl)-1,3-benzothiazol-3-ium Formula: C10H9F3NS+ MolecularWeight: 232.24537

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC(F)(F)F

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC(F)(F)F

InChI

InChI=1S/C10H9F3NS/c1-14-7-4-2-3-5-8(7)15-9(14)6-10(11,12)13/h2-5H,6H2,1H3/q+1