2-azanylpropanedinitrile; 4-methylbenzenesulfonate

Systemtic Name: 2-azanylpropanedinitrile; 4-methylbenzenesulfonate Openeye Name: 2-aminopropanedinitrile; 4-methylbenzenesulfonate CAS Name: 2-aminopropanedinitrile; 4-methylbenzenesulfonate IUPAC Name: 2-aminopropanedinitrile; 4-methylbenzenesulfonate Traditional Name: 2-aminomalononitrile tosylate Formula: C10H10N3O3S- MolecularWeight: 252.2697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(#N)C(C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(#N)C(C#N)N

InChI

InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2/p-1