STL
Summary
| Name: | RESVERATROL |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| OpenEye OEToolkits | 1.5.0 | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=Cc2cc(cc(c2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ |
| InChIKey | InChI | 1.03 | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
