3-[3-ethyl-2-methyl-6-(trifluoromethylsulfonyl)benzimidazol-3-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-ethyl-2-methyl-6-(trifluoromethylsulfonyl)benzimidazol-3-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-ethyl-2-methyl-6-(trifluoromethylsulfonyl)benzimidazol-3-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-ethyl-2-methyl-6-(trifluoromethylsulfonyl)-1-benzimidazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-ethyl-2-methyl-6-(trifluoromethylsulfonyl)benzimidazol-3-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-(3-ethyl-2-methyl-6-triflyl-benzimidazol-3-ium-1-yl)propane-1-sulfonic acid Formula: C14H18F3N2O5S2+ MolecularWeight: 415.42833

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CCCS(=O)(=O)O)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CCCS(=O)(=O)O)C

InChI

InChI=1S/C14H17F3N2O5S2/c1-3-18-10(2)19(7-4-8-25(20,21)22)13-9-11(5-6-12(13)18)26(23,24)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/p+1