sodium 5-nitro-2-phenoxy-benzenesulfonate

Systemtic Name: sodium 5-nitro-2-phenoxy-benzenesulfonate Openeye Name: sodium 5-nitro-2-phenoxy-benzenesulfonate CAS Name: sodium 5-nitro-2-phenoxybenzenesulfonate IUPAC Name: sodium 5-nitro-2-phenoxybenzenesulfonate Traditional Name: sodium 5-nitro-2-phenoxy-besylate Formula: C12H8NNaO6S MolecularWeight: 317.24979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H9NO6S.Na/c14-13(15)9-6-7-11(12(8-9)20(16,17)18)19-10-4-2-1-3-5-10;/h1-8H,(H,16,17,18);/q;+1/p-1