R3S
Summary
| Name: | RESVERATROL-3-O-SULFATE |
| Formula: | C14 H12 O6 S |
| Formal charge: | 0 |
| Formula weight: | 308.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenyl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+ |
| InChIKey | InChI | 1.03 | DULQFFCIVGYOFH-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)/C=C/c2cc(O)cc(O[S](O)(=O)=O)c2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C=Cc2cc(O)cc(O[S](O)(=O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=Cc2cc(cc(c2)OS(=O)(=O)O)O)O |
