94158-12-0 Purity
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Specification
The molecular formula is C12H6N8O12Sr.
It was created on 2009-08-20.
The molecular weight is 541.84 g/mol.
The IUPAC name is strontium;6-diazo-3-hydroxy-2,4-dinitrocyclohexa-2,4-dien-1-olate.
The InChIKey is VUVNVCNNRMBYGT-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C(=C(C(C1=[N+]=[N-])[O-])[N+](=O)[O-])O)[N+](=O)[O-].C1=C(C(=C(C(C1=[N+]=[N-])[O-])[N+](=O)[O-])O)[N+](=O)[O-].[Sr+2].
The CAS number is 94158-15-3.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 274 Å2.
Yes, the compound is canonicalized in PubChem.
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