Q9O
Summary
| Name: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol |
| Formula: | C15 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 275.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H17NO2S/c1-16(2)10-11-5-3-4-6-14(11)19-15-8-7-12(17)9-13(15)18/h3-9,17-18H,10H2,1-2H3 |
| InChIKey | InChI | 1.06 | XGVORBBXGSPMOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccccc1Sc2ccc(O)cc2O |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccccc1Sc2ccc(O)cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccccc1Sc2ccc(cc2O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccccc1Sc2ccc(cc2O)O |
