5-methyl-3-nitro-2-oxidanidyl-benzenesulfonate

Systemtic Name: 5-methyl-3-nitro-2-oxidanidyl-benzenesulfonate Openeye Name: 5-methyl-3-nitro-2-oxido-benzenesulfonate CAS Name: 5-methyl-3-nitro-2-oxidobenzenesulfonate IUPAC Name: 5-methyl-3-nitro-2-oxidobenzenesulfonate Traditional Name: 5-methyl-3-nitro-2-oxido-besylate Formula: C7H5NO6S-2 MolecularWeight: 231.1827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7NO6S/c1-4-2-5(8(10)11)7(9)6(3-4)15(12,13)14/h2-3,9H,1H3,(H,12,13,14)/p-2