4-fluoranylpyrrolidine-2-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 4-fluoranylpyrrolidine-2-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 4-fluoropyrrolidine-2-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 4-fluoro-2-pyrrolidinecarbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 4-fluoropyrrolidine-2-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 4-fluoropyrrolidine-2-carbonitrile; tosylic acid Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CNC1C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(CNC1C#N)F

InChI

InChI=1S/C7H8O3S.C5H7FN2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-1-5(2-7)8-3-4/h2-5H,1H3,(H,8,9,10);4-5,8H,1,3H2