disodium benzenecarbonitrile sulfate

Systemtic Name: disodium benzenecarbonitrile sulfate Openeye Name: disodium benzonitrile sulfate CAS Name: disodium benzonitrile sulfate IUPAC Name: disodium benzonitrile sulfate Traditional Name: disodium benzonitrile sulfate Formula: C7H5NNa2O4S MolecularWeight: 245.16344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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