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Sodium 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate

ChemSpider ID: 2114682
Molecular Formula: C₂₁H₁₇N₂NaO₃S
Average mass: 400.425995 Da
Monoisotopic mass: 400.085754 Da
Systematic name

Sodium 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
SMILES and InChIs

SMILES:

[Na+].[O-]S(=O)(=O)c1ccc(cc1)N4/N=C(/c2ccccc2)CC4c3ccccc3 Copied

Std. InChI:

InChI=1S/C21H18N2O3S.Na/c24-27(25,26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16;/h1-14,21H,15H2,(H,24,25,26);/q;+1/p-1 Copied

Std. InChIKey:

PQYYIQJGKUGBAV-UHFFFAOYSA-M Copied
Cite this record
CSID:2114682, http://www.chemspider.com/Chemical-Structure.2114682.html (accessed 17:06, May 26, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

sodium 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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