5-methyl-2,4-dinitro-benzenesulfonate

Systemtic Name: 5-methyl-2,4-dinitro-benzenesulfonate Openeye Name: 5-methyl-2,4-dinitro-benzenesulfonate CAS Name: 5-methyl-2,4-dinitrobenzenesulfonate IUPAC Name: 5-methyl-2,4-dinitrobenzenesulfonate Traditional Name: 5-methyl-2,4-dinitro-besylate Formula: C7H5N2O7S- MolecularWeight: 261.1888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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