sodium; hydrogen sulfite; 4-(4-methoxybenzene-5-id-1-yl)benzenecarbonitrile

Systemtic Name: sodium; hydrogen sulfite; 4-(4-methoxybenzene-5-id-1-yl)benzenecarbonitrile Openeye Name: sodium; hydrogen sulfite; 4-(4-methoxybenzene-5-id-1-yl)benzonitrile CAS Name: sodium; hydrogen sulfite; 4-(4-methoxy-1-benzene-5-idyl)benzonitrile IUPAC Name: sodium; hydrogen sulfite; 4-(4-methoxybenzene-5-id-1-yl)benzonitrile Traditional Name: sodium 4-(4-methoxybenzene-5-id-1-yl)benzonitrile bisulfite Formula: C14H11NNaO4S- MolecularWeight: 312.29621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=[C-]1)C2=CC=C(C=C2)C#N.OS(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=[C-]1)C2=CC=C(C=C2)C#N.OS(=O)[O-].[Na+]

InChI

InChI=1S/C14H10NO.Na.H2O3S/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12;;1-4(2)3/h2-8H,1H3;;(H2,1,2,3)/q-1;+1;/p-1