93804-22-9 Purity
96%
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The molecular formula is C10H6CaO6S2.
The molecular weight is 326.4 g/mol.
It was created on August 8, 2005.
The IUPAC name is calcium;naphthalene-2,6-disulfonate.
The InChIKey is LJYYUPYEVYMPLY-UHFFFAOYSA-L.
The Canonical SMILES is C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Ca+2].
The CAS number is 93804-30-9.
There are 6 hydrogen bond acceptors.
The topological polar surface area is 131 Å2.
Yes, the compound is canonicalized according to PubChem.
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