C.I. Pigment Yellow 13
| Chemical identification | |
|---|---|
| CAS identifier | 5102-83-0 |
| Pubchem identifier | 73462 |
| DSSTox identifier | DTXSID0029268 |
| IUPAC name | 2-[[2-chloro-4-[3-chloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/C(C(=O)Nc1ccc(cc1C)C)C(=O)C |
| InChI | InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)/b43-41+,44-42+ |
| InChIKey | IAFBRPFISOTXSO-CHQNLTHESA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
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