4,5-dimethoxy-2-nitro-benzenesulfonate

Systemtic Name: 4,5-dimethoxy-2-nitro-benzenesulfonate Openeye Name: 4,5-dimethoxy-2-nitro-benzenesulfonate CAS Name: 4,5-dimethoxy-2-nitrobenzenesulfonate IUPAC Name: 4,5-dimethoxy-2-nitrobenzenesulfonate Traditional Name: 4,5-dimethoxy-2-nitro-besylate Formula: C8H8NO7S- MolecularWeight: 262.21662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])S(=O)(=O)[O-])OC

InChI

InChI=1S/C8H9NO7S/c1-15-6-3-5(9(10)11)8(17(12,13)14)4-7(6)16-2/h3-4H,1-2H3,(H,12,13,14)/p-1