DBT
Summary
| Name: | 5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE |
| Formula: | C14 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 279.355 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione |
| OpenEye OEToolkits | 1.5.0 | 5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1scnc1C(=O)C(=C2O)CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC1=C(O)C(=O)c2scnc2C1=O |
| SMILES | CACTVS | 3.341 | CCCCCCCC1=C(O)C(=O)c2scnc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,17H,2-7H2,1H3 |
| InChIKey | InChI | 1.03 | CAPIRLKYURUNFL-UHFFFAOYSA-N |
