4-(aminomethyl)benzenecarbonitrile; methanesulfonic acid

Systemtic Name: 4-(aminomethyl)benzenecarbonitrile; methanesulfonic acid Openeye Name: 4-(aminomethyl)benzonitrile; methanesulfonic acid CAS Name: 4-(aminomethyl)benzonitrile; methanesulfonic acid IUPAC Name: 4-(aminomethyl)benzonitrile; methanesulfonic acid Traditional Name: 4-(aminomethyl)benzonitrile; mesylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1CN)C#N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1CN)C#N

InChI

InChI=1S/C8H8N2.CH4O3S/c9-5-7-1-2-8(6-10)4-3-7;1-5(2,3)4/h1-4H,5,9H2;1H3,(H,2,3,4)