C.I. Pigment Yellow 87
| Chemical identification | |
|---|---|
| CAS identifier | 15110-84-6 |
| Pubchem identifier | 85802 |
| DSSTox identifier | DTXSID30864556 |
| IUPAC name | 2-[[2-chloro-4-[3-chloro-4-[[1-(2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | COc1ccc(c(c1)NC(=O)C(C(=O)C)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/C(C(=O)Nc1cc(OC)ccc1OC)C(=O)C)OC |
| InChI | InChI=1S/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-17-23(49-3)9-13-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-18-24(50-4)10-14-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)/b43-41+,44-42+ |
| InChIKey | JCCCQHUBURSMDX-CHQNLTHESA-N |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
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