sodium 2-cyano-5-ethoxy-benzenesulfonate

Systemtic Name: sodium 2-cyano-5-ethoxy-benzenesulfonate Openeye Name: sodium 2-cyano-5-ethoxy-benzenesulfonate CAS Name: sodium 2-cyano-5-ethoxybenzenesulfonate IUPAC Name: sodium 2-cyano-5-ethoxybenzenesulfonate Traditional Name: sodium 2-cyano-5-ethoxy-besylate Formula: C9H8NNaO4S MolecularWeight: 249.21889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C#N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=CC(=C(C=C1)C#N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H9NO4S.Na/c1-2-14-8-4-3-7(6-10)9(5-8)15(11,12)13;/h3-5H,2H2,1H3,(H,11,12,13);/q;+1/p-1