4C8
Summary
| Name: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether |
| Formula: | C12 H5 Br5 O |
| Formal charge: | 0 |
| Formula weight: | 564.687 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dibromophenyl 2,4,6-tribromophenyl ether |
| OpenEye OEToolkits | 1.9.2 | 2-[2,4-bis(bromanyl)phenoxy]-1,3,5-tris(bromanyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene |
| InChI | InChI | 1.03 | InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H |
| InChIKey | InChI | 1.03 | NSKIRYMHNFTRLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br |
