P8S
heptadecafluoro-1-octanesulfonic acid
| Created: | 2012-03-27 |
| Last modified: | 2021-03-01 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 30 |
| Chiral Atom Count | 0 |
| Bond Count | 29 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | heptadecafluoro-1-octanesulfonic acid |
| Synonyms | perfluorooctane sulfonate |
| Systematic Name (OpenEye OEToolkits) | 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonic acid |
| Formula | C8 H F17 O3 S |
| Molecular Weight | 500.13 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| Canonical SMILES | CACTVS | 3.370 | O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28) |
| InChIKey | InChI | 1.03 | YFSUTJLHUFNCNZ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 74483 |
| ChEMBL | CHEMBL1876554 |
| ChEBI | CHEBI:39421 |
