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The molecular formula is C17H16ClN2NaO6S2.
The synonym is Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate.
The molecular weight is 466.9 g/mol.
The IUPAC name is sodium;2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl sulfate.
The Canonical SMILES is C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].
The CAS number is 94138-71-3.
There are 8 hydrogen bond acceptors.
The exact mass is 466.0036006 g/mol.
There are 7 rotatable bonds.
The topological polar surface area is 133 Ų.
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94138-72-4
94138-74-6
94138-76-8
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