G12
Summary
| Name: | 3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE |
| Synonyms: | 3,8-DIBROMO-7-HYDROXY-4-METHYLCHROMEN-2-ONE |
| Formula: | C10 H6 Br2 O3 |
| Formal charge: | 0 |
| Formula weight: | 333.961 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,8-dibromo-7-hydroxy-4-methyl-2H-chromen-2-one |
| OpenEye OEToolkits | 1.5.0 | 3,8-dibromo-7-hydroxy-4-methyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc2c(O)ccc1c2OC(=O)C(Br)=C1C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(Br)C(=O)Oc2c(Br)c(O)ccc12 |
| SMILES | CACTVS | 3.341 | CC1=C(Br)C(=O)Oc2c(Br)c(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H6Br2O3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3 |
| InChIKey | InChI | 1.03 | MSOLROYRAHCJNK-UHFFFAOYSA-N |
