4-methyl-3-[1,2,2-tris(fluoranyl)ethyl]benzenesulfonate

Systemtic Name: 4-methyl-3-[1,2,2-tris(fluoranyl)ethyl]benzenesulfonate Openeye Name: 4-methyl-3-(1,2,2-trifluoroethyl)benzenesulfonate CAS Name: 4-methyl-3-(1,2,2-trifluoroethyl)benzenesulfonate IUPAC Name: 4-methyl-3-(1,2,2-trifluoroethyl)benzenesulfonate Traditional Name: 4-methyl-3-(1,2,2-trifluoroethyl)besylate Formula: C9H8F3O3S- MolecularWeight: 253.21823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F3O3S/c1-5-2-3-6(16(13,14)15)4-7(5)8(10)9(11)12/h2-4,8-9H,1H3,(H,13,14,15)/p-1