UHD
Summary
| Name: | 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE |
| Synonyms: | 3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL UHDBT |
| Formula: | C18 H25 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 335.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione |
| OpenEye OEToolkits | 1.5.0 | 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3 |
| InChIKey | InChI | 1.03 | QCWGBMWYLYKEIU-UHFFFAOYSA-N |
