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

Systemtic Name: 3-(1-fluoranyl-2,2-dimethyl-propyl)-4-methyl-benzenesulfonic acid Openeye Name: 3-(1-fluoro-2,2-dimethyl-propyl)-4-methyl-benzenesulfonic acid CAS Name: 3-(1-fluoro-2,2-dimethylpropyl)-4-methylbenzenesulfonic acid IUPAC Name: 3-(1-fluoro-2,2-dimethylpropyl)-4-methylbenzenesulfonic acid Traditional Name: 3-(1-fluoro-2,2-dimethyl-propyl)-4-methyl-besylic acid Formula: C12H17FO3S MolecularWeight: 260.324983

Click to see the large picture

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)