4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; 2,2,2-trifluoroacetate CAS Name: 4-(3-methyl-1-imidazol-3-iumyl)-1-butanesulfonic acid; 2,2,2-trifluoroacetate IUPAC Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; 2,2,2-trifluoroacetate Traditional Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; 2,2,2-trifluoroacetate Formula: C10H15F3N2O5S MolecularWeight: 332.29671

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H14N2O3S.C2HF3O2/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;3-2(4,5)1(6)7/h5-6,8H,2-4,7H2,1H3;(H,6,7)