PBQ
Summary
| Name: | PENTABROMOPSEUDILIN |
| Formula: | C10 H4 Br5 N O |
| Formal charge: | 0 |
| Formula weight: | 553.665 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
| OpenEye OEToolkits | 1.5.0 | 2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br |
| SMILES | CACTVS | 3.341 | Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H |
| InChIKey | InChI | 1.03 | LXMNWKJHYOZUQL-UHFFFAOYSA-N |
