2-chloranyl-3-methyl-1,3-benzothiazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-chloranyl-3-methyl-1,3-benzothiazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; trifluoromethanesulfonate CAS Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; trifluoromethanesulfonate IUPAC Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; trifluoromethanesulfonate Traditional Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium triflate Formula: C9H7ClF3NO3S2 MolecularWeight: 333.73499

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H7ClNS.CHF3O3S/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)/q+1;/p-1