D&C Red No. 27 aluminum lake
| Chemical identification | |
|---|---|
| CAS identifier | 15876-58-1 |
| Pubchem identifier | 118856509 |
| DSSTox identifier | DTXSID901036017 |
| IUPAC name | dialuminum 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| SMILES | Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.[Al+3].[Al+3] |
| InChI | InChI=1S/3C20H4Br4Cl4O5.2Al/c3*21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29;;/h3*1-2,29H,(H,31,32);;/q;;;2*+3/p-6 |
| InChIKey | SYHCUZIBEFBVNF-UHFFFAOYSA-H |
| Chemical classification | |
|---|---|
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
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