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The molecular formula is C18H17Cl2N2NaO6S2.
It was created on 2008-02-05.
The molecular weight is 515.4 g/mol.
The IUPAC name is sodium;2-[4-[5-(4,5-dichloro-2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate.
The InChIKey is FPGVRZFXCXXFJB-UHFFFAOYSA-M.
The Canonical SMILES is CC1=CC(=C(C=C1C2=NN(CC2)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)Cl.[Na+].
It has 8 hydrogen bond acceptors.
The topological polar surface area is 133 Ų.
There are 7 rotatable bond counts.
The formal charge is 0.
94138-66-6
94138-69-9
94138-71-3
94138-74-6
94138-76-8
94138-78-0
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![Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl sulfate](https://resource.alfa-chemistry.com/structure/94138-71-3.gif)
