sodium 2-chloranyl-4-cyano-benzenesulfonate

Systemtic Name: sodium 2-chloranyl-4-cyano-benzenesulfonate Openeye Name: sodium 2-chloro-4-cyano-benzenesulfonate CAS Name: sodium 2-chloro-4-cyanobenzenesulfonate IUPAC Name: sodium 2-chloro-4-cyanobenzenesulfonate Traditional Name: sodium 2-chloro-4-cyano-besylate Formula: C7H3ClNNaO3S MolecularWeight: 239.61139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H4ClNO3S.Na/c8-6-3-5(4-9)1-2-7(6)13(10,11)12;/h1-3H,(H,10,11,12);/q;+1/p-1