dicyanomethylazanium; 4-methylbenzenesulfonate

Systemtic Name: dicyanomethylazanium; 4-methylbenzenesulfonate Openeye Name: dicyanomethylammonium; 4-methylbenzenesulfonate CAS Name: dicyanomethylammonium; 4-methylbenzenesulfonate IUPAC Name: dicyanomethylazanium; 4-methylbenzenesulfonate Traditional Name: dicyanomethylammonium tosylate Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(#N)C(C#N)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(#N)C(C#N)[NH3+]

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