96894-67-6 Purity
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Specification
The molecular formula is C4H2N4Na2O4.
The synonyms are 96898-32-7 Disodium 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate, Sodium 1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate, 1,4-Dihydro-[1,2,4,5]tetrazine-3,6-dicarboxylic acid.
The molecular weight is 216.06 g/mol.
The IUPAC name is disodium;1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylate.
The InChI is InChI=1S/C4H4N4O4.2Na/c9-3(10)1-5-7-2(4(11)12)8-6-1;;/h(H,5,6)(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2.
The InChIKey is NEJQRCMKIAPUCX-UHFFFAOYSA-L.
The canonical SMILES is C1(=NNC(=NN1)C(=O)[O-])C(=O)[O-].[Na+].[Na+].
The CAS number is 96898-32-7.
Yes, it is canonicalized.