5-nitro-2-phenoxy-benzenesulfonate

Systemtic Name: 5-nitro-2-phenoxy-benzenesulfonate Openeye Name: 5-nitro-2-phenoxy-benzenesulfonate CAS Name: 5-nitro-2-phenoxybenzenesulfonate IUPAC Name: 5-nitro-2-phenoxybenzenesulfonate Traditional Name: 5-nitro-2-phenoxy-besylate Formula: C12H8NO6S- MolecularWeight: 294.26002

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO6S/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)/p-1