sodium 3-methyl-2,6-dinitro-benzenesulfonate

Systemtic Name: sodium 3-methyl-2,6-dinitro-benzenesulfonate Openeye Name: sodium 3-methyl-2,6-dinitro-benzenesulfonate CAS Name: sodium 3-methyl-2,6-dinitrobenzenesulfonate IUPAC Name: sodium 3-methyl-2,6-dinitrobenzenesulfonate Traditional Name: sodium 3-methyl-2,6-dinitro-besylate Formula: C7H5N2NaO7S MolecularWeight: 284.17857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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