4-methylbenzenesulfonate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-methylbenzenesulfonate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-methylbenzenesulfonate; 2,2,2-trifluoroacetate CAS Name: 4-methylbenzenesulfonate; 2,2,2-trifluoroacetate IUPAC Name: 4-methylbenzenesulfonate; 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetate tosylate Formula: C9H7F3O5S-2 MolecularWeight: 284.20909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2HF3O2/c1-6-2-4-7(5-3-6)11(8,9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H,8,9,10);(H,6,7)/p-2