4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1h-pyrazole-3-carboxylic acid trisodium salt

ChemSpider ID: 144497
Molecular Formula: C₁₆H₉N₄Na₃O₉S₂
Average mass: 534.363403 Da
Monoisotopic mass: 533.950378 Da
Systematic name

Trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate
SMILES and InChIs

SMILES:

[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccc(/N=N/C2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\C([O-])=O)cc3 Copied

Std. InChI:

InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;; Copied

Std. InChIKey:

UJMBCXLDXJUMFB-GLCFPVLVSA-K Copied
Cite this record
CSID:144497, http://www.chemspider.com/Chemical-Structure.144497.html (accessed 03:11, May 24, 2012) Copied

Names and Identifiers

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

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