W29
Summary
| Name: | 4-(3-ethylthiophen-2-yl)benzene-1,2-diol |
| Formula: | C12 H12 O2 S |
| Formal charge: | 0 |
| Formula weight: | 220.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(3-ethylthiophen-2-yl)benzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 4-(3-ethylthiophen-2-yl)benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1ccc(cc1O)c2sccc2CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCc1ccsc1c2ccc(O)c(O)c2 |
| SMILES | CACTVS | 3.341 | CCc1ccsc1c2ccc(O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1ccsc1c2ccc(c(c2)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCc1ccsc1c2ccc(c(c2)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3 |
| InChIKey | InChI | 1.03 | VXLXQOMDQVQQLA-UHFFFAOYSA-N |
