sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate Openeye Name: sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate CAS Name: sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate IUPAC Name: sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate Traditional Name: sodium 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonate Formula: C4H3F3N3NaO3S MolecularWeight: 253.1349

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1S(=O)(=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

CN1C(=NN=C1S(=O)(=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C4H4F3N3O3S.Na/c1-10-2(4(5,6)7)8-9-3(10)14(11,12)13;/h1H3,(H,11,12,13);/q;+1/p-1