![Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)](/tictok/images/PNG/174091.png)
Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)
| Chemical identification | |
|---|---|
| CAS identifier | 65212-77-3 |
| Pubchem identifier | 174091 |
| DSSTox identifier | DTXSID10886751 |
| IUPAC name | calcium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | CC1=NN(C(=O)C1/N=N/c1cc(Cl)c(cc1S(=O)(=O)[O-])Cl)c1cccc(c1)S(=O)(=O)[O-].[Ca+2] |
| InChI | InChI=1S/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2/b20-19+; |
| InChIKey | KJAXOZTWNHRZQG-RZLHGTIFSA-L |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
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