benzenecarbonitrile sulfate

Systemtic Name: benzenecarbonitrile sulfate Openeye Name: benzonitrile sulfate CAS Name: benzonitrile sulfate IUPAC Name: benzonitrile sulfate Traditional Name: benzonitrile sulfate Formula: C7H5NO4S-2 MolecularWeight: 199.1839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5N.H2O4S/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H;(H2,1,2,3,4)/p-2