93776-72-8 Purity
96%
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Specification
The molecular formula is C8H8CaO4S2.
It was created on 2005-08-08 and modified on 2023-12-30.
The IUPAC name is calcium;2,5-dimethyl-3,4-bis(sulfanylidene)hexanedioate.
The InChIKey is ADRVTASORWAZLS-UHFFFAOYSA-L.
The Canonical SMILES is CC(C(=S)C(=S)C(C)C(=O)[O-])C(=O)[O-].[Ca+2].
The molecular weight is 272.4 g/mol.
The CAS number is 93776-78-4.
It has 6 hydrogen bond acceptor counts.
The topological polar surface area is 144 Ų.
Yes, the compound is canonicalized in PubChem.
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