copper; methylbenzene; tris(fluoranyl)methanesulfonate

Systemtic Name: copper; methylbenzene; tris(fluoranyl)methanesulfonate Openeye Name: copper; toluene; trifluoromethanesulfonate CAS Name: copper; toluene; trifluoromethanesulfonate IUPAC Name: copper; toluene; trifluoromethanesulfonate Traditional Name: cupric toluene ditriflate Formula: C9H8CuF6O6S2 MolecularWeight: 453.822639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/C7H8.2CHF3O3S.Cu/c1-7-5-3-2-4-6-7;2*2-1(3,4)8(5,6)7;/h2-6H,1H3;2*(H,5,6,7);/q;;;+2/p-2