3-azabicyclo[3.1.0]hexane-4-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azabicyclo[3.1.0]hexane-4-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 3-azabicyclo[3.1.0]hexane-4-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 3-azabicyclo[3.1.0]hexane-4-carbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 3-azabicyclo[3.1.0]hexane-4-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 3-azabicyclo[3.1.0]hexane-4-carbonitrile; tosylic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2C1C(NC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2C1C(NC2)C#N

InChI

InChI=1S/C7H8O3S.C6H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;7-2-6-5-1-4(5)3-8-6/h2-5H,1H3,(H,8,9,10);4-6,8H,1,3H2