YVI
Summary
| Name: | 6-THIOOCTANOIC ACID |
| Synonyms: | 6-sulfanyloctanoic acid |
| Formula: | C8 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 176.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-6-sulfanyloctanoic acid |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-6-sulfanyloctanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CCCCC(S)CC |
| InChI | InChI | 1.06 | InChI=1S/C8H16O2S/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | LABZAONVGARYLS-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](S)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](S)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CCCCC(=O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CCCCC(=O)O)S |
