sodium; hydrogen sulfite; 4-phenylbenzenecarbonitrile

Systemtic Name: sodium; hydrogen sulfite; 4-phenylbenzenecarbonitrile Openeye Name: sodium; hydrogen sulfite; 4-phenylbenzonitrile CAS Name: sodium; hydrogen sulfite; 4-phenylbenzonitrile IUPAC Name: sodium; hydrogen sulfite; 4-phenylbenzonitrile Traditional Name: sodium 4-phenylbenzonitrile bisulfite Formula: C13H9NNaO3S- MolecularWeight: 282.27023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=[C-]1)C2=CC=C(C=C2)C#N.OS(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=[C-]1)C2=CC=C(C=C2)C#N.OS(=O)[O-].[Na+]

InChI

InChI=1S/C13H8N.Na.H2O3S/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;;1-4(2)3/h2-9H;;(H2,1,2,3)/q-1;+1;/p-1