C.I. Pigment Orange 13
| Chemical identification | |
|---|---|
| CAS identifier | 3520-72-7 |
| Pubchem identifier | 20843803 |
| DSSTox identifier | DTXSID6052031 |
| IUPAC name | 4-[[2-chloro-4-[3-chloro-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | CC1=NN(C(=O)C1/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1 |
| InChI | InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,29-30H,1-2H3/b37-35+,38-36+ |
| InChIKey | HKYYDLYCGBDWSB-ATXIYDNESA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
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