U4T
Summary
| Name: | 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid |
| Synonyms: | 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid |
| Formula: | C13 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 230.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15) |
| InChIKey | InChI | 1.03 | IGBRCZHGFVMFCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2c(CCc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2c(CCc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O |
