WE4
Summary
| Name: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid |
| Formula: | C8 H2 Br4 O4 |
| Formal charge: | 0 |
| Formula weight: | 481.715 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,3,5,6-tetrakis(bromanyl)terephthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | PNXPXUDJXYVOFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(Br)c(Br)c(C(O)=O)c(Br)c1Br |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(Br)c(Br)c(C(O)=O)c(Br)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O |
