ZJT
Summary
| Name: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
| Formula: | C13 H9 F O2 S |
| Formal charge: | 0 |
| Formula weight: | 248.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc2CCc3cc(F)ccc3c2s1 |
| InChI | InChI | 1.06 | InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16) |
| InChIKey | InChI | 1.06 | JJZNTNSOGADPIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2c(CCc3cc(F)ccc23)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2c(CCc3cc(F)ccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1F)CCc3c2sc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1F)CCc3c2sc(c3)C(=O)O |
