PE7
Summary
| Name: | 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL |
| Formula: | C14 H30 O7 S |
| Formal charge: | 0 |
| Formula weight: | 342.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 20-sulfanyl-3,6,9,12,15,18-hexaoxaicosan-1-ol |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCOCCOCCOCCOCCO)CCOCCS |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCS |
| SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCS)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCS)O |
| InChI | InChI | 1.03 | InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2 |
| InChIKey | InChI | 1.03 | ACMBXVJDKVNCGH-UHFFFAOYSA-N |
