LRA
Summary
| Name: | (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one |
| Formula: | C16 H11 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 347.16 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2~{H}-furan-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11BrO4/c17-11-6-4-9(5-7-11)13-14(19)16(20)21-15(13)10-2-1-3-12(18)8-10/h1-8,15,18-19H/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | AXUOPMIBBDYMEV-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)[C@H]2OC(=O)C(=C2c3ccc(Br)cc3)O |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)[CH]2OC(=O)C(=C2c3ccc(Br)cc3)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)[C@@H]2C(=C(C(=O)O2)O)c3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)C2C(=C(C(=O)O2)O)c3ccc(cc3)Br |
