3-azanylbenzenecarbonitrile; ethanesulfonic acid

Systemtic Name: 3-azanylbenzenecarbonitrile; ethanesulfonic acid Openeye Name: 3-aminobenzonitrile; ethanesulfonic acid CAS Name: 3-aminobenzonitrile; ethanesulfonic acid IUPAC Name: 3-aminobenzonitrile; ethanesulfonic acid Traditional Name: 3-aminobenzonitrile; esylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC(=C1)N)C#N

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC(=C1)N)C#N

InChI

InChI=1S/C7H6N2.C2H6O3S/c8-5-6-2-1-3-7(9)4-6;1-2-6(3,4)5/h1-4H,9H2;2H2,1H3,(H,3,4,5)