3,5-bis(trifluoromethyl)benzenesulfonate; trimethylazanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; trimethylazanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; trimethylammonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; trimethylammonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; trimethylazanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; trimethylammonium Formula: C11H13F6NO3S MolecularWeight: 353.281239

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C[NH+](C)C.C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H4F6O3S.C3H9N/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17;1-4(2)3/h1-3H,(H,15,16,17);1-3H3