sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate

Systemtic Name: sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate Openeye Name: sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate CAS Name: sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate IUPAC Name: sodium 2,6-dinitro-4-(trifluoromethyl)benzenesulfonate Traditional Name: sodium 2,6-dinitro-4-(trifluoromethyl)besylate Formula: C7H2F3N2NaO7S MolecularWeight: 338.14996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H3F3N2O7S.Na/c8-7(9,10)3-1-4(11(13)14)6(20(17,18)19)5(2-3)12(15)16;/h1-2H,(H,17,18,19);/q;+1/p-1