789
Summary
| Name: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE |
| Formula: | C15 H9 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 317.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one |
| OpenEye OEToolkits | 1.5.0 | 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)inden-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrC=2c1ccc(O)cc1C(=O)C=2c3ccc(O)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)C2=C(Br)c3ccc(O)cc3C2=O |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C2=C(Br)c3ccc(O)cc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O |
| InChI | InChI | 1.03 | InChI=1S/C15H9BrO3/c16-14-11-6-5-10(18)7-12(11)15(19)13(14)8-1-3-9(17)4-2-8/h1-7,17-18H |
| InChIKey | InChI | 1.03 | DHPCBFMFERFZLR-UHFFFAOYSA-N |
