N11
Summary
| Name: | 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol |
| Synonyms: | 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol |
| Formula: | C12 H15 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 297.33 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol |
| OpenEye OEToolkits | 1.5.0 | 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfanyl]hexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCCCCCSc1ccc(c2nonc12)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OCCCCCCSc1ccc(c2nonc12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2 |
| InChIKey | InChI | 1.03 | RGXYYAZGELLKDA-UHFFFAOYSA-N |
