benzenesulfonate; 3-ethyl-2-methyl-1-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium

Systemtic Name: benzenesulfonate; 3-ethyl-2-methyl-1-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium Openeye Name: benzenesulfonate; 3-ethyl-2-methyl-1-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium CAS Name: benzenesulfonate; 3-ethyl-2-methyl-1-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium IUPAC Name: benzenesulfonate; 3-ethyl-2-methyl-1-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium Traditional Name: 3-ethyl-2-methyl-1-octyl-5-triflyl-benzimidazol-1-ium besylate Formula: C25H33F3N2O5S2 MolecularWeight: 562.66513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28F3N2O2S.C6H6O3S/c1-4-6-7-8-9-10-13-24-15(3)23(5-2)18-14-16(11-12-17(18)24)27(25,26)19(20,21)22;7-10(8,9)6-4-2-1-3-5-6/h11-12,14H,4-10,13H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1