A1IAG
Summary
| Name: | (3-bromophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone |
| Synonyms: | (3-Bromophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone |
| Formula: | C21 H13 Br O3 S |
| Formal charge: | 0 |
| Formula weight: | 425.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-bromophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H13BrO3S/c22-14-3-1-2-13(10-14)20(25)19-17-9-8-16(24)11-18(17)26-21(19)12-4-6-15(23)7-5-12/h1-11,23-24H |
| InChIKey | InChI | 1.06 | FZTODPPHGNNGPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4cccc(Br)c4 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4cccc(Br)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O |
