A1L2W
Summary
| Name: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one |
| Formula: | C15 H11 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 335.149 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H11BrO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+ |
| InChIKey | InChI | 1.06 | YOXIGWQDHRYVTE-ORCRQEGFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Br)c2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Br)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Br)O |
