O59
Summary
| Name: | octane-1,8-diyl disulfamate |
| Synonyms: | 1,8-Octanediol disulfamate |
| Formula: | C8 H20 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 304.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | octane-1,8-diyl disulfamate |
| OpenEye OEToolkits | 1.6.1 | 8-sulfamoyloxyoctyl sulfamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N |
| SMILES_CANONICAL | CACTVS | 3.352 | N[S](=O)(=O)OCCCCCCCCO[S](N)(=O)=O |
| SMILES | CACTVS | 3.352 | N[S](=O)(=O)OCCCCCCCCO[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14) |
| InChIKey | InChI | 1.03 | IPTXSYCLIWBHBX-UHFFFAOYSA-N |
