2-methyl-3,5-dinitro-benzenesulfonate

Systemtic Name: 2-methyl-3,5-dinitro-benzenesulfonate Openeye Name: 2-methyl-3,5-dinitro-benzenesulfonate CAS Name: 2-methyl-3,5-dinitrobenzenesulfonate IUPAC Name: 2-methyl-3,5-dinitrobenzenesulfonate Traditional Name: 2-methyl-3,5-dinitro-besylate Formula: C7H5N2O7S- MolecularWeight: 261.1888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O7S/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16/h2-3H,1H3,(H,14,15,16)/p-1