sodium 4-(5-chloranyl-2-cyano-phenoxy)benzenesulfonate

Systemtic Name: sodium 4-(5-chloranyl-2-cyano-phenoxy)benzenesulfonate Openeye Name: sodium 4-(5-chloro-2-cyano-phenoxy)benzenesulfonate CAS Name: sodium 4-(5-chloro-2-cyanophenoxy)benzenesulfonate IUPAC Name: sodium 4-(5-chloro-2-cyanophenoxy)benzenesulfonate Traditional Name: sodium 4-(5-chloro-2-cyano-phenoxy)besylate Formula: C13H7ClNNaO4S MolecularWeight: 331.70675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=CC(=C2)Cl)C#N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=CC(=C2)Cl)C#N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H8ClNO4S.Na/c14-10-2-1-9(8-15)13(7-10)19-11-3-5-12(6-4-11)20(16,17)18;/h1-7H,(H,16,17,18);/q;+1/p-1