benzenesulfonate; 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium

Systemtic Name: benzenesulfonate; 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium Openeye Name: benzenesulfonate; 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium CAS Name: benzenesulfonate; 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium IUPAC Name: benzenesulfonate; 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-methyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium besylate Formula: C17H16F3NO3S2 MolecularWeight: 403.43905

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H11F3NS.C6H6O3S/c1-3-15-7(2)16-10-5-4-8(6-9(10)15)11(12,13)14;7-10(8,9)6-4-2-1-3-5-6/h4-6H,3H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1