A1IAI
Summary
| Name: | (4-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone |
| Synonyms: | [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3- yl](4-hydroxyphenyl)methanone |
| Formula: | C21 H14 O4 S |
| Formal charge: | 0 |
| Formula weight: | 362.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H14O4S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,22-24H |
| InChIKey | InChI | 1.06 | CTMKIRXPVZYQJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)O)O |
