4-methylbenzenesulfonate; 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium Traditional Name: 1,2,3-trimethyl-4,5-bis(trifluoromethyl)imidazol-1-ium tosylate Formula: C15H16F6N2O3S MolecularWeight: 418.354559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C(=C(N1C)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C(=C(N1C)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C8H9F6N2.C7H8O3S/c1-4-15(2)5(7(9,10)11)6(16(4)3)8(12,13)14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1