3-(1-fluoranyl-2,2-dimethyl-propyl)-4-methyl-benzenesulfonate

Systemtic Name: 3-(1-fluoranyl-2,2-dimethyl-propyl)-4-methyl-benzenesulfonate Openeye Name: 3-(1-fluoro-2,2-dimethyl-propyl)-4-methyl-benzenesulfonate CAS Name: 3-(1-fluoro-2,2-dimethylpropyl)-4-methylbenzenesulfonate IUPAC Name: 3-(1-fluoro-2,2-dimethylpropyl)-4-methylbenzenesulfonate Traditional Name: 3-(1-fluoro-2,2-dimethyl-propyl)-4-methyl-besylate Formula: C12H16FO3S- MolecularWeight: 259.317043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FO3S/c1-8-5-6-9(17(14,15)16)7-10(8)11(13)12(2,3)4/h5-7,11H,1-4H3,(H,14,15,16)/p-1