1-ethyl-2-methyl-3-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-2-methyl-3-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-2-methyl-3-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-methyl-3-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-2-methyl-3-octyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-2-methyl-3-octyl-5-triflyl-benzimidazol-1-ium tosylate Formula: C26H35F3N2O5S2 MolecularWeight: 576.69171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)(F)F)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)(F)F)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H28F3N2O2S.C7H8O3S/c1-4-6-7-8-9-10-13-24-15(3)23(5-2)17-12-11-16(14-18(17)24)27(25,26)19(20,21)22;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,14H,4-10,13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1